4-cyclohexyl-N-propan-2-ylbutanamide;N-[[1-[2-(dimethylamino)ethyl]-4-[2-(methylamino)ethyl]piperazin-2-yl]methyl]propan-2-amine;1,4-dimethyl-N-propan-2-ylpiperazine-2-carboxamide;2-(4-methylpiperazin-1-yl)-N-propan-2-ylacetamide;N-propan-2-ylpiperidine-3-carboxamide

C57H120N14O4 — CID 157444280

IUPAC4-cyclohexyl-N-propan-2-ylbutanamide;N-[[1-[2-(dimethylamino)ethyl]-4-[2-(methylamino)ethyl]piperazin-2-yl]methyl]propan-2-amine;1,4-dimethyl-N-propan-2-ylpiperazine-2-carboxamide;2-(4-methylpiperazin-1-yl)-N-propan-2-ylacetamide;N-propan-2-ylpiperidine-3-carboxamide
SMILESCC(C)NC(=O)C1CCCNC1.CC(C)NC(=O)C1CN(C)CCN1C.CC(C)NC(=O)CCCC1CCCCC1.CC(C)NC(=O)CN1CCN(C)CC1.CNCCN1CCN(CCN(C)C)C(CNC(C)C)C1
InChIInChI=1S/C15H35N5.C13H25NO.2C10H21N3O.C9H18N2O/c1-14(2)17-12-15-13-19(7-6-16-3)9-11-20(15)10-8-18(4)5;1-11(2)14-13(15)10-6-9-12-7-4-3-5-8-12;1-8(2)11-10(14)9-7-12(3)5-6-13(9)4;1-9(2)11-10(14)8-13-6-4-12(3)5-7-13;1-7(2)11-9(12)8-4-3-5-10-6-8/h14-17H,6-13H2,1-5H3;11-12H,3-10H2,1-2H3,(H,14,15);8-9H,5-7H2,1-4H3,(H,11,14);9H,4-8H2,1-3H3,(H,11,14);7-8,10H,3-6H2,1-2H3,(H,11,12)
InChIKeyBSAOHTKLBSKJBG-UHFFFAOYSA-N
MW1065.68 g/mol
LogP3.04
Rot. Bonds21

About 4-cyclohexyl-N-propan-2-ylbutanamide;N-[[1-[2-(dimethylamino)ethyl]-4-[2-(methylamino)ethyl]piperazin-2-yl]methyl]propan-2-amine;1,4-dimethyl-N-propan-2-ylpiperazine-2-carboxamide;2-(4-methylpiperazin-1-yl)-N-propan-2-ylacetamide;N-propan-2-ylpiperidine-3-carboxamide

4-cyclohexyl-N-propan-2-ylbutanamide;N-[[1-[2-(dimethylamino)ethyl]-4-[2-(methylamino)ethyl]piperazin-2-yl]methyl]propan-2-amine;1,4-dimethyl-N-propan-2-ylpiperazine-2-carboxamide;2-(4-methylpiperazin-1-yl)-N-propan-2-ylacetamide;N-propan-2-ylpiperidine-3-carboxamide (PubChem CID 157444280) has the molecular formula C57H120N14O4 and a molecular weight of 1065.68 g/mol. Its IUPAC name is 4-cyclohexyl-N-propan-2-ylbutanamide;N-[[1-[2-(dimethylamino)ethyl]-4-[2-(methylamino)ethyl]piperazin-2-yl]methyl]propan-2-amine;1,4-dimethyl-N-propan-2-ylpiperazine-2-carboxamide;2-(4-methylpiperazin-1-yl)-N-propan-2-ylacetamide;N-propan-2-ylpiperidine-3-carboxamide.

Molecular Properties

Compound Name4-cyclohexyl-N-propan-2-ylbutanamide;N-[[1-[2-(dimethylamino)ethyl]-4-[2-(methylamino)ethyl]piperazin-2-yl]methyl]propan-2-amine;1,4-dimethyl-N-propan-2-ylpiperazine-2-carboxamide;2-(4-methylpiperazin-1-yl)-N-propan-2-ylacetamide;N-propan-2-ylpiperidine-3-carboxamide
PubChem CID157444280
Molecular FormulaC57H120N14O4
Molecular Weight1065.68 g/mol
Exact Mass1064.96
IUPAC Name4-cyclohexyl-N-propan-2-ylbutanamide;N-[[1-[2-(dimethylamino)ethyl]-4-[2-(methylamino)ethyl]piperazin-2-yl]methyl]propan-2-amine;1,4-dimethyl-N-propan-2-ylpiperazine-2-carboxamide;2-(4-methylpiperazin-1-yl)-N-propan-2-ylacetamide;N-propan-2-ylpiperidine-3-carboxamide
SMILESCC(C)NC(=O)C1CCCNC1.CC(C)NC(=O)C1CN(C)CCN1C.CC(C)NC(=O)CCCC1CCCCC1.CC(C)NC(=O)CN1CCN(C)CC1.CNCCN1CCN(CCN(C)C)C(CNC(C)C)C1
InChIInChI=1S/C15H35N5.C13H25NO.2C10H21N3O.C9H18N2O/c1-14(2)17-12-15-13-19(7-6-16-3)9-11-20(15)10-8-18(4)5;1-11(2)14-13(15)10-6-9-12-7-4-3-5-8-12;1-8(2)11-10(14)9-7-12(3)5-6-13(9)4;1-9(2)11-10(14)8-13-6-4-12(3)5-7-13;1-7(2)11-9(12)8-4-3-5-10-6-8/h14-17H,6-13H2,1-5H3;11-12H,3-10H2,1-2H3,(H,14,15);8-9H,5-7H2,1-4H3,(H,11,14);9H,4-8H2,1-3H3,(H,11,14);7-8,10H,3-6H2,1-2H3,(H,11,12)
InChIKeyBSAOHTKLBSKJBG-UHFFFAOYSA-N
XLogP3.04
TPSA175.17 Ų
H-Bond Donors7
H-Bond Acceptors14
Rotatable Bonds21
Heavy Atoms75
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001065.68
LogP ≤ 53.04
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1014

Analyze 4-cyclohexyl-N-propan-2-ylbutanamide;N-[[1-[2-(dimethylamino)ethyl]-4-[2-(methylamino)ethyl]piperazin-2-yl]methyl]propan-2-amine;1,4-dimethyl-N-propan-2-ylpiperazine-2-carboxamide;2-(4-methylpiperazin-1-yl)-N-propan-2-ylacetamide;N-propan-2-ylpiperidine-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

1-[(2S)-2-[[(2S)-2-acetamido-3-methylbutanoyl]amino]-4-cyclohexylbutanoyl]piperidine-3-carboxamide
CID 16732149
4-[(1R,3AS,10AR,10BS)-2-Acetyldecahydro-1H,4H-pyrido[3,2,1-IJ][1,6]naphthyridin-1-YL]-N-[2-(4-ethyl-1-piperazinyl)ethyl]butanamide
CID 110195859
4-[(1R,3AS,10AR,10BS)-2-Acetyldecahydro-1H,4H-pyrido[3,2,1-IJ][1,6]naphthyridin-1-YL]-N-[2-(1-piperidinyl)ethyl]butanamide
CID 110195814
(2R)-1-acetyl-N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-4-(piperidine-4-carbonyl)piperazine-2-carboxamide
CID 11912128
(2R)-N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-1,4-bis(piperidine-4-carbonyl)piperazine-2-carboxamide
CID 25391103
4-{4-[(1R,3aS,10aS,10bS)-2-acetyldecahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]butanoyl}tetrahydro-2(1H)-pyrazinone
CID 110195822
Sdccgsbi-0117179.P001
CID 45172824
(2R)-N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-1-(piperidine-4-carbonyl)piperazine-2-carboxamide
CID 7164964
N-[6-[acetyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide;N-[3-[acetyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]propyl]-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]propyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide;N,N'-bis[2-[di(propan-2-yl)amino]ethyl]hexanediamide;N-[2-[di(propan-2-yl)amino]ethyl]dodecanamide
CID 54338405
3-[4-[4-[4-[4-[4-(4-acetylpiperazin-1-yl)piperazin-1-yl]piperazin-1-yl]piperazin-1-yl]piperazin-1-yl]piperazin-1-yl]-N-[4-[[4-[[2-(methylamino)acetyl]amino]cyclohexyl]methyl]cyclohexyl]-3-oxopropanamide
CID 71288990
N-methyl-N-[1-[2-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]ethyl]piperidin-4-yl]-2-[1-[2-(4-methylpiperidin-1-yl)ethyl]piperidin-4-yl]acetamide
CID 134582812
2-[1-[(2S)-2-[(3S)-3-(cyclohexylmethyl)-2-oxopiperazin-1-yl]-4-methylpentanoyl]piperidin-4-yl]acetamide
CID 138685945

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-N-propan-2-ylbutanamide;N-[[1-[2-(dimethylamino)ethyl]-4-[2-(methylamino)ethyl]piperazin-2-yl]methyl]propan-2-amine;1,4-dimethyl-N-propan-2-ylpiperazine-2-carboxamide;2-(4-methylpiperazin-1-yl)-N-propan-2-ylacetamide;N-propan-2-ylpiperidine-3-carboxamide?
The IUPAC name of 4-cyclohexyl-N-propan-2-ylbutanamide;N-[[1-[2-(dimethylamino)ethyl]-4-[2-(methylamino)ethyl]piperazin-2-yl]methyl]propan-2-amine;1,4-dimethyl-N-propan-2-ylpiperazine-2-carboxamide;2-(4-methylpiperazin-1-yl)-N-propan-2-ylacetamide;N-propan-2-ylpiperidine-3-carboxamide (CID 157444280) is 4-cyclohexyl-N-propan-2-ylbutanamide;N-[[1-[2-(dimethylamino)ethyl]-4-[2-(methylamino)ethyl]piperazin-2-yl]methyl]propan-2-amine;1,4-dimethyl-N-propan-2-ylpiperazine-2-carboxamide;2-(4-methylpiperazin-1-yl)-N-propan-2-ylacetamide;N-propan-2-ylpiperidine-3-carboxamide.
What is the SMILES notation for 4-cyclohexyl-N-propan-2-ylbutanamide;N-[[1-[2-(dimethylamino)ethyl]-4-[2-(methylamino)ethyl]piperazin-2-yl]methyl]propan-2-amine;1,4-dimethyl-N-propan-2-ylpiperazine-2-carboxamide;2-(4-methylpiperazin-1-yl)-N-propan-2-ylacetamide;N-propan-2-ylpiperidine-3-carboxamide?
The canonical SMILES for 4-cyclohexyl-N-propan-2-ylbutanamide;N-[[1-[2-(dimethylamino)ethyl]-4-[2-(methylamino)ethyl]piperazin-2-yl]methyl]propan-2-amine;1,4-dimethyl-N-propan-2-ylpiperazine-2-carboxamide;2-(4-methylpiperazin-1-yl)-N-propan-2-ylacetamide;N-propan-2-ylpiperidine-3-carboxamide is CC(C)NC(=O)C1CCCNC1.CC(C)NC(=O)C1CN(C)CCN1C.CC(C)NC(=O)CCCC1CCCCC1.CC(C)NC(=O)CN1CCN(C)CC1.CNCCN1CCN(CCN(C)C)C(CNC(C)C)C1.
What is the InChIKey of 4-cyclohexyl-N-propan-2-ylbutanamide;N-[[1-[2-(dimethylamino)ethyl]-4-[2-(methylamino)ethyl]piperazin-2-yl]methyl]propan-2-amine;1,4-dimethyl-N-propan-2-ylpiperazine-2-carboxamide;2-(4-methylpiperazin-1-yl)-N-propan-2-ylacetamide;N-propan-2-ylpiperidine-3-carboxamide?
The InChIKey is BSAOHTKLBSKJBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H35N5.C13H25NO.2C10H21N3O.C9H18N2O/c1-14(2)17-12-15-13-19(7-6-16-3)9-11-20(15)10-8-18(4)5;1-11(2)14-13(15)10-6-9-12-7-4-3-5-8-12;1-8(2)11-10(14)9-7-12(3)5-6-13(9)4;1-9(2)11-10(14)8-13-6-4-12(3)5-7-13;1-7(2)11-9(12)8-4-3-5-10-6-8/h14-17H,6-13H2,1-5H3;11-12H,3-10H2,1-2H3,(H,14,15);8-9H,5-7H2,1-4H3,(H,11,14);9H,4-8H2,1-3H3,(H,11,14);7-8,10H,3-6H2,1-2H3,(H,11,12).
What are the key properties of 4-cyclohexyl-N-propan-2-ylbutanamide;N-[[1-[2-(dimethylamino)ethyl]-4-[2-(methylamino)ethyl]piperazin-2-yl]methyl]propan-2-amine;1,4-dimethyl-N-propan-2-ylpiperazine-2-carboxamide;2-(4-methylpiperazin-1-yl)-N-propan-2-ylacetamide;N-propan-2-ylpiperidine-3-carboxamide?
4-cyclohexyl-N-propan-2-ylbutanamide;N-[[1-[2-(dimethylamino)ethyl]-4-[2-(methylamino)ethyl]piperazin-2-yl]methyl]propan-2-amine;1,4-dimethyl-N-propan-2-ylpiperazine-2-carboxamide;2-(4-methylpiperazin-1-yl)-N-propan-2-ylacetamide;N-propan-2-ylpiperidine-3-carboxamide has a molecular weight of 1065.68 g/mol, XLogP of 3.04, 21 rotatable bonds, 7 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-N-propan-2-ylbutanamide;N-[[1-[2-(dimethylamino)ethyl]-4-[2-(methylamino)ethyl]piperazin-2-yl]methyl]propan-2-amine;1,4-dimethyl-N-propan-2-ylpiperazine-2-carboxamide;2-(4-methylpiperazin-1-yl)-N-propan-2-ylacetamide;N-propan-2-ylpiperidine-3-carboxamide is sourced from PubChem (CID 157444280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).