4-[[2-(4-propan-2-ylpiperazine-1-carbonyl)cyclohexyl]amino]benzamide

C21H32N4O2 — CID 69113364

IUPAC4-[[2-(4-propan-2-ylpiperazine-1-carbonyl)cyclohexyl]amino]benzamide
SMILESCC(C)N1CCN(C(=O)C2CCCCC2Nc2ccc(C(N)=O)cc2)CC1
InChIInChI=1S/C21H32N4O2/c1-15(2)24-11-13-25(14-12-24)21(27)18-5-3-4-6-19(18)23-17-9-7-16(8-10-17)20(22)26/h7-10,15,18-19,23H,3-6,11-14H2,1-2H3,(H2,22,26)
InChIKeyOXAUHVCAQPPKPO-UHFFFAOYSA-N
MW372.51 g/mol
LogP2.31
Rot. Bonds5

About 4-[[2-(4-propan-2-ylpiperazine-1-carbonyl)cyclohexyl]amino]benzamide

4-[[2-(4-propan-2-ylpiperazine-1-carbonyl)cyclohexyl]amino]benzamide (PubChem CID 69113364) has the molecular formula C21H32N4O2 and a molecular weight of 372.51 g/mol. Its IUPAC name is 4-[[2-(4-propan-2-ylpiperazine-1-carbonyl)cyclohexyl]amino]benzamide.

Molecular Properties

Compound Name4-[[2-(4-propan-2-ylpiperazine-1-carbonyl)cyclohexyl]amino]benzamide
PubChem CID69113364
Molecular FormulaC21H32N4O2
Molecular Weight372.51 g/mol
Exact Mass372.25
IUPAC Name4-[[2-(4-propan-2-ylpiperazine-1-carbonyl)cyclohexyl]amino]benzamide
SMILESCC(C)N1CCN(C(=O)C2CCCCC2Nc2ccc(C(N)=O)cc2)CC1
InChIInChI=1S/C21H32N4O2/c1-15(2)24-11-13-25(14-12-24)21(27)18-5-3-4-6-19(18)23-17-9-7-16(8-10-17)20(22)26/h7-10,15,18-19,23H,3-6,11-14H2,1-2H3,(H2,22,26)
InChIKeyOXAUHVCAQPPKPO-UHFFFAOYSA-N
XLogP2.31
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[[2-(4-propan-2-ylpiperazine-1-carbonyl)cyclohexyl]amino]benzamide with MolForge

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Related Compounds

2-(4-carbamoylanilino)cyclopentane-1-carboxylic acid
CID 64817627
[(1R,2R)-2-(4-methoxyanilino)cyclohexyl]-piperidin-1-ylmethanone
CID 125474268
6-methoxy-N-[(1R,2S)-2-(4-propan-2-ylpiperazine-1-carbonyl)cyclopentyl]pyridine-3-carboxamide
CID 91912962
[4-(4-benzoylanilino)cyclohexyl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 24900546
4-(cyclopropylamino)benzamide
CID 103605968
4-[(2-aminocyclohexyl)amino]benzoic acid
CID 62230691
4-[[(2R)-2-cyclopentylsulfanylpropanoyl]amino]benzamide
CID 7825696
4-[[(2S)-2-cyclopentylsulfanylpropanoyl]amino]benzamide
CID 7825695
4-[[(2S)-2-[[(1R,2R,3R)-2,3-dimethylcyclohexyl]amino]propanoyl]amino]benzamide
CID 11939553
4-[4-(1-aminoethyl)piperidine-1-carbonyl]benzamide
CID 119520138
N-ethyl-4-[(1-propan-2-ylpiperidin-4-yl)amino]benzamide
CID 43728511
4-[2-(4-ethyl-1,4-diazepan-1-yl)propanoylamino]benzamide
CID 71930636

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(4-propan-2-ylpiperazine-1-carbonyl)cyclohexyl]amino]benzamide?
The IUPAC name of 4-[[2-(4-propan-2-ylpiperazine-1-carbonyl)cyclohexyl]amino]benzamide (CID 69113364) is 4-[[2-(4-propan-2-ylpiperazine-1-carbonyl)cyclohexyl]amino]benzamide.
What is the SMILES notation for 4-[[2-(4-propan-2-ylpiperazine-1-carbonyl)cyclohexyl]amino]benzamide?
The canonical SMILES for 4-[[2-(4-propan-2-ylpiperazine-1-carbonyl)cyclohexyl]amino]benzamide is CC(C)N1CCN(C(=O)C2CCCCC2Nc2ccc(C(N)=O)cc2)CC1.
What is the InChIKey of 4-[[2-(4-propan-2-ylpiperazine-1-carbonyl)cyclohexyl]amino]benzamide?
The InChIKey is OXAUHVCAQPPKPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4O2/c1-15(2)24-11-13-25(14-12-24)21(27)18-5-3-4-6-19(18)23-17-9-7-16(8-10-17)20(22)26/h7-10,15,18-19,23H,3-6,11-14H2,1-2H3,(H2,22,26).
What are the key properties of 4-[[2-(4-propan-2-ylpiperazine-1-carbonyl)cyclohexyl]amino]benzamide?
4-[[2-(4-propan-2-ylpiperazine-1-carbonyl)cyclohexyl]amino]benzamide has a molecular weight of 372.51 g/mol, XLogP of 2.31, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(4-propan-2-ylpiperazine-1-carbonyl)cyclohexyl]amino]benzamide is sourced from PubChem (CID 69113364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).