1-cyclohexylpiperazine;N,N-dimethylpyrrolidine-2-carboxamide;N-methyl-2-piperazin-1-ylacetamide;1-(2-methylpropyl)piperazine;pyrrolidine-2-carboxamide

C37H77N11O3 — CID 161271167

IUPAC1-cyclohexylpiperazine;N,N-dimethylpyrrolidine-2-carboxamide;N-methyl-2-piperazin-1-ylacetamide;1-(2-methylpropyl)piperazine;pyrrolidine-2-carboxamide
SMILESC1CCC(N2CCNCC2)CC1.CC(C)CN1CCNCC1.CN(C)C(=O)C1CCCN1.CNC(=O)CN1CCNCC1.NC(=O)C1CCCN1
InChIInChI=1S/C10H20N2.C8H18N2.C7H15N3O.C7H14N2O.C5H10N2O/c1-2-4-10(5-3-1)12-8-6-11-7-9-12;1-8(2)7-10-5-3-9-4-6-10;1-8-7(11)6-10-4-2-9-3-5-10;1-9(2)7(10)6-4-3-5-8-6;6-5(8)4-2-1-3-7-4/h10-11H,1-9H2;8-9H,3-7H2,1-2H3;9H,2-6H2,1H3,(H,8,11);6,8H,3-5H2,1-2H3;4,7H,1-3H2,(H2,6,8)
InChIKeyVDVJFJNXYAUKGT-UHFFFAOYSA-N
MW724.10 g/mol
LogP-0.54
Rot. Bonds7

About 1-cyclohexylpiperazine;N,N-dimethylpyrrolidine-2-carboxamide;N-methyl-2-piperazin-1-ylacetamide;1-(2-methylpropyl)piperazine;pyrrolidine-2-carboxamide

1-cyclohexylpiperazine;N,N-dimethylpyrrolidine-2-carboxamide;N-methyl-2-piperazin-1-ylacetamide;1-(2-methylpropyl)piperazine;pyrrolidine-2-carboxamide (PubChem CID 161271167) has the molecular formula C37H77N11O3 and a molecular weight of 724.10 g/mol. Its IUPAC name is 1-cyclohexylpiperazine;N,N-dimethylpyrrolidine-2-carboxamide;N-methyl-2-piperazin-1-ylacetamide;1-(2-methylpropyl)piperazine;pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-cyclohexylpiperazine;N,N-dimethylpyrrolidine-2-carboxamide;N-methyl-2-piperazin-1-ylacetamide;1-(2-methylpropyl)piperazine;pyrrolidine-2-carboxamide
PubChem CID161271167
Molecular FormulaC37H77N11O3
Molecular Weight724.10 g/mol
Exact Mass723.62
IUPAC Name1-cyclohexylpiperazine;N,N-dimethylpyrrolidine-2-carboxamide;N-methyl-2-piperazin-1-ylacetamide;1-(2-methylpropyl)piperazine;pyrrolidine-2-carboxamide
SMILESC1CCC(N2CCNCC2)CC1.CC(C)CN1CCNCC1.CN(C)C(=O)C1CCCN1.CNC(=O)CN1CCNCC1.NC(=O)C1CCCN1
InChIInChI=1S/C10H20N2.C8H18N2.C7H15N3O.C7H14N2O.C5H10N2O/c1-2-4-10(5-3-1)12-8-6-11-7-9-12;1-8(2)7-10-5-3-9-4-6-10;1-8-7(11)6-10-4-2-9-3-5-10;1-9(2)7(10)6-4-3-5-8-6;6-5(8)4-2-1-3-7-4/h10-11H,1-9H2;8-9H,3-7H2,1-2H3;9H,2-6H2,1H3,(H,8,11);6,8H,3-5H2,1-2H3;4,7H,1-3H2,(H2,6,8)
InChIKeyVDVJFJNXYAUKGT-UHFFFAOYSA-N
XLogP-0.54
TPSA162.37 Ų
H-Bond Donors7
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms51
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500724.10
LogP ≤ 5-0.54
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1011

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Related Compounds

(2R)-N-[(2S)-3,3-dimethyl-1-[methyl-[(2S)-3-methyl-1-[(2S)-2-[2-(piperidine-1-carbonyl)pyrrolidine-1-carbonyl]pyrrolidin-1-yl]butan-2-yl]amino]-1-oxobutan-2-yl]-1-methylpiperidine-2-carboxamide
CID 57675412
N-[(2S)-3,3-dimethyl-1-[methyl-[(2S)-3-methyl-1-[(2S)-2-[(2S)-2-(piperidine-1-carbonyl)pyrrolidine-1-carbonyl]pyrrolidin-1-yl]butan-2-yl]amino]-1-oxobutan-2-yl]-1-methylpiperidine-2-carboxamide
CID 58650190
(2R)-N-[(2S)-3,3-dimethyl-1-[methyl-[(2S)-3-methyl-1-[(2S)-2-[(2S)-2-(piperidine-1-carbonyl)pyrrolidine-1-carbonyl]pyrrolidin-1-yl]butan-2-yl]amino]-1-oxobutan-2-yl]-1-methylpiperidine-2-carboxamide
CID 59234597
N,4-dimethylpentanamide;(1S,4S)-2-(3-methylbutyl)-2,5-diazabicyclo[2.2.1]heptane;N-methyl-N-(3-methylbutyl)piperidin-4-amine;4-methyl-1-(3-methylbutyl)piperidine;3-methyl-N-(piperidin-4-ylmethyl)butan-1-amine
CID 158140262
1-cyclohexylpiperazine;N,N-dimethylpyrrolidine-2-carboxamide;methane;N-methyl-2-piperazin-1-ylacetamide;1-(2-methylpropyl)piperazine;1-pyrrolidin-2-ylethanone
CID 158181756
(2R)-N-[3-(dimethylamino)-2,2-dimethylpropyl]-3-methyl-2-[methyl(propan-2-yl)amino]butanamide;(2R)-N-[2-(dimethylamino)ethyl]-N,3-dimethyl-2-[methyl(propan-2-yl)amino]butanamide;(2R)-N-[2-(dimethylamino)ethyl]-3-methyl-2-[methyl(propan-2-yl)amino]butanamide;(2R)-N-[3-(dimethylamino)propyl]-N,3-dimethyl-2-[methyl(propan-2-yl)amino]butanamide;(2R)-N-[3-(dimethylamino)propyl]-3-methyl-2-(propan-2-ylamino)butanamide;(2R)-N,3-dimethyl-N-(1-methylpiperidin-4-yl)-2-[methyl(propan-2-yl)amino]butanamide;(2R)-3-methyl-1-(4-methylpiperazin-1-yl)-2-(propan-2-ylamino)butan-1-one;(2R)-3-methyl-2-[methyl(propan-2-yl)amino]-N-[2-(1-methylpyrrolidin-2-yl)ethyl]butanamide;(2R)-3-methyl-2-[methyl(propan-2-yl)amino]-1-(4-pyrrolidin-1-ylpiperidin-1-yl)butan-1-one
CID 158541431
1-tert-butyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperazine;1-methyl-N-propan-2-ylpiperidine-4-carboxamide;(2R)-1-methyl-N-propan-2-ylpyrrolidine-2-carboxamide
CID 161643226
N-[3,3-dimethyl-1-[methyl-[3-methyl-1-[2-[2-(piperidine-1-carbonyl)pyrrolidine-1-carbonyl]pyrrolidin-1-yl]butan-2-yl]amino]-1-oxobutan-2-yl]-1-methylpiperidine-2-carboxamide
CID 21032327

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexylpiperazine;N,N-dimethylpyrrolidine-2-carboxamide;N-methyl-2-piperazin-1-ylacetamide;1-(2-methylpropyl)piperazine;pyrrolidine-2-carboxamide?
The IUPAC name of 1-cyclohexylpiperazine;N,N-dimethylpyrrolidine-2-carboxamide;N-methyl-2-piperazin-1-ylacetamide;1-(2-methylpropyl)piperazine;pyrrolidine-2-carboxamide (CID 161271167) is 1-cyclohexylpiperazine;N,N-dimethylpyrrolidine-2-carboxamide;N-methyl-2-piperazin-1-ylacetamide;1-(2-methylpropyl)piperazine;pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-cyclohexylpiperazine;N,N-dimethylpyrrolidine-2-carboxamide;N-methyl-2-piperazin-1-ylacetamide;1-(2-methylpropyl)piperazine;pyrrolidine-2-carboxamide?
The canonical SMILES for 1-cyclohexylpiperazine;N,N-dimethylpyrrolidine-2-carboxamide;N-methyl-2-piperazin-1-ylacetamide;1-(2-methylpropyl)piperazine;pyrrolidine-2-carboxamide is C1CCC(N2CCNCC2)CC1.CC(C)CN1CCNCC1.CN(C)C(=O)C1CCCN1.CNC(=O)CN1CCNCC1.NC(=O)C1CCCN1.
What is the InChIKey of 1-cyclohexylpiperazine;N,N-dimethylpyrrolidine-2-carboxamide;N-methyl-2-piperazin-1-ylacetamide;1-(2-methylpropyl)piperazine;pyrrolidine-2-carboxamide?
The InChIKey is VDVJFJNXYAUKGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2.C8H18N2.C7H15N3O.C7H14N2O.C5H10N2O/c1-2-4-10(5-3-1)12-8-6-11-7-9-12;1-8(2)7-10-5-3-9-4-6-10;1-8-7(11)6-10-4-2-9-3-5-10;1-9(2)7(10)6-4-3-5-8-6;6-5(8)4-2-1-3-7-4/h10-11H,1-9H2;8-9H,3-7H2,1-2H3;9H,2-6H2,1H3,(H,8,11);6,8H,3-5H2,1-2H3;4,7H,1-3H2,(H2,6,8).
What are the key properties of 1-cyclohexylpiperazine;N,N-dimethylpyrrolidine-2-carboxamide;N-methyl-2-piperazin-1-ylacetamide;1-(2-methylpropyl)piperazine;pyrrolidine-2-carboxamide?
1-cyclohexylpiperazine;N,N-dimethylpyrrolidine-2-carboxamide;N-methyl-2-piperazin-1-ylacetamide;1-(2-methylpropyl)piperazine;pyrrolidine-2-carboxamide has a molecular weight of 724.10 g/mol, XLogP of -0.54, 7 rotatable bonds, 7 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexylpiperazine;N,N-dimethylpyrrolidine-2-carboxamide;N-methyl-2-piperazin-1-ylacetamide;1-(2-methylpropyl)piperazine;pyrrolidine-2-carboxamide is sourced from PubChem (CID 161271167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).