1-[2-[(3-aminocyclohexanecarbonyl)amino]benzoyl]piperidine-4-carboxamide;hydrochloride

C20H29ClN4O3 — CID 119718652

IUPAC1-[2-[(3-aminocyclohexanecarbonyl)amino]benzoyl]piperidine-4-carboxamide;hydrochloride
SMILESCl.NC(=O)C1CCN(C(=O)c2ccccc2NC(=O)C2CCCC(N)C2)CC1
InChIInChI=1S/C20H28N4O3.ClH/c21-15-5-3-4-14(12-15)19(26)23-17-7-2-1-6-16(17)20(27)24-10-8-13(9-11-24)18(22)25;/h1-2,6-7,13-15H,3-5,8-12,21H2,(H2,22,25)(H,23,26);1H
InChIKeyOCBFJCSSAJMDHQ-UHFFFAOYSA-N
MW408.93 g/mol
LogP1.90
Rot. Bonds4

About 1-[2-[(3-aminocyclohexanecarbonyl)amino]benzoyl]piperidine-4-carboxamide;hydrochloride

1-[2-[(3-aminocyclohexanecarbonyl)amino]benzoyl]piperidine-4-carboxamide;hydrochloride (PubChem CID 119718652) has the molecular formula C20H29ClN4O3 and a molecular weight of 408.93 g/mol. Its IUPAC name is 1-[2-[(3-aminocyclohexanecarbonyl)amino]benzoyl]piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-[2-[(3-aminocyclohexanecarbonyl)amino]benzoyl]piperidine-4-carboxamide;hydrochloride
PubChem CID119718652
Molecular FormulaC20H29ClN4O3
Molecular Weight408.93 g/mol
Exact Mass408.19
IUPAC Name1-[2-[(3-aminocyclohexanecarbonyl)amino]benzoyl]piperidine-4-carboxamide;hydrochloride
SMILESCl.NC(=O)C1CCN(C(=O)c2ccccc2NC(=O)C2CCCC(N)C2)CC1
InChIInChI=1S/C20H28N4O3.ClH/c21-15-5-3-4-14(12-15)19(26)23-17-7-2-1-6-16(17)20(27)24-10-8-13(9-11-24)18(22)25;/h1-2,6-7,13-15H,3-5,8-12,21H2,(H2,22,25)(H,23,26);1H
InChIKeyOCBFJCSSAJMDHQ-UHFFFAOYSA-N
XLogP1.90
TPSA118.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.93
LogP ≤ 51.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]cyclohexane-1-carboxamide
CID 119711788
1-[2-[(3-aminocyclohexanecarbonyl)amino]phenyl]piperidine-4-carboxamide;dihydrochloride
CID 119870586
1-[2-[(3-aminocyclohexanecarbonyl)amino]phenyl]piperidine-4-carboxamide
CID 119870587
N-[2-(4-methylpiperidine-1-carbonyl)phenyl]cyclohexanecarboxamide
CID 4939416
N-[2-(azepane-1-carbonyl)phenyl]-1-methylpiperidine-4-carboxamide
CID 99970642
1-methyl-N-[2-(piperidine-1-carbonyl)phenyl]piperidine-4-carboxamide
CID 99817673
3-amino-N-naphthalen-1-ylcyclohexane-1-carboxamide;hydrochloride
CID 119671192
N-[2-(4-methylpiperazine-1-carbonyl)phenyl]cyclohexanecarboxamide
CID 4943642
3-amino-N-naphthalen-1-ylcyclohexane-1-carboxamide
CID 63042139
2-[(3-aminocyclohexanecarbonyl)amino]-N-(2-methylpropyl)benzamide
CID 119684630
1-[2-[(2-iodo-3-methylbenzoyl)amino]benzoyl]piperidine-4-carboxamide
CID 60544520
3-amino-N-[2-(methanesulfonamido)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119704020

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3-aminocyclohexanecarbonyl)amino]benzoyl]piperidine-4-carboxamide;hydrochloride?
The IUPAC name of 1-[2-[(3-aminocyclohexanecarbonyl)amino]benzoyl]piperidine-4-carboxamide;hydrochloride (CID 119718652) is 1-[2-[(3-aminocyclohexanecarbonyl)amino]benzoyl]piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for 1-[2-[(3-aminocyclohexanecarbonyl)amino]benzoyl]piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for 1-[2-[(3-aminocyclohexanecarbonyl)amino]benzoyl]piperidine-4-carboxamide;hydrochloride is Cl.NC(=O)C1CCN(C(=O)c2ccccc2NC(=O)C2CCCC(N)C2)CC1.
What is the InChIKey of 1-[2-[(3-aminocyclohexanecarbonyl)amino]benzoyl]piperidine-4-carboxamide;hydrochloride?
The InChIKey is OCBFJCSSAJMDHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O3.ClH/c21-15-5-3-4-14(12-15)19(26)23-17-7-2-1-6-16(17)20(27)24-10-8-13(9-11-24)18(22)25;/h1-2,6-7,13-15H,3-5,8-12,21H2,(H2,22,25)(H,23,26);1H.
What are the key properties of 1-[2-[(3-aminocyclohexanecarbonyl)amino]benzoyl]piperidine-4-carboxamide;hydrochloride?
1-[2-[(3-aminocyclohexanecarbonyl)amino]benzoyl]piperidine-4-carboxamide;hydrochloride has a molecular weight of 408.93 g/mol, XLogP of 1.90, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3-aminocyclohexanecarbonyl)amino]benzoyl]piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119718652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).