1-[2-[(3-aminocyclohexanecarbonyl)amino]phenyl]piperidine-4-carboxamide

C19H28N4O2 — CID 119870587

IUPAC1-[2-[(3-aminocyclohexanecarbonyl)amino]phenyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(c2ccccc2NC(=O)C2CCCC(N)C2)CC1
InChIInChI=1S/C19H28N4O2/c20-15-5-3-4-14(12-15)19(25)22-16-6-1-2-7-17(16)23-10-8-13(9-11-23)18(21)24/h1-2,6-7,13-15H,3-5,8-12,20H2,(H2,21,24)(H,22,25)
InChIKeyNZWLAOXBYHOXED-UHFFFAOYSA-N
MW344.46 g/mol
LogP1.84
Rot. Bonds4

About 1-[2-[(3-aminocyclohexanecarbonyl)amino]phenyl]piperidine-4-carboxamide

1-[2-[(3-aminocyclohexanecarbonyl)amino]phenyl]piperidine-4-carboxamide (PubChem CID 119870587) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is 1-[2-[(3-aminocyclohexanecarbonyl)amino]phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-[(3-aminocyclohexanecarbonyl)amino]phenyl]piperidine-4-carboxamide
PubChem CID119870587
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC Name1-[2-[(3-aminocyclohexanecarbonyl)amino]phenyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(c2ccccc2NC(=O)C2CCCC(N)C2)CC1
InChIInChI=1S/C19H28N4O2/c20-15-5-3-4-14(12-15)19(25)22-16-6-1-2-7-17(16)23-10-8-13(9-11-23)18(21)24/h1-2,6-7,13-15H,3-5,8-12,20H2,(H2,21,24)(H,22,25)
InChIKeyNZWLAOXBYHOXED-UHFFFAOYSA-N
XLogP1.84
TPSA101.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 51.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[(3-aminocyclohexanecarbonyl)amino]phenyl]piperidine-4-carboxamide;dihydrochloride
CID 119870586
1-N,3-N-bis(2-pyrrolidin-1-ylphenyl)cyclohexane-1,3-dicarboxamide
CID 60596479
1-[2-[(3-aminocyclohexanecarbonyl)amino]benzoyl]piperidine-4-carboxamide;hydrochloride
CID 119718652
3-amino-N-naphthalen-1-ylcyclohexane-1-carboxamide
CID 63042139
3-amino-N-[2-(dimethylamino)phenyl]cyclohexane-1-carboxamide
CID 63044143
3-amino-N-naphthalen-1-ylcyclohexane-1-carboxamide;hydrochloride
CID 119671192
3-amino-N-[2-(2,6-dimethylmorpholin-4-yl)phenyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119845961
2-[(2-pyrrolidin-1-ylphenyl)carbamoyl]cyclobutane-1-carboxylic acid
CID 120974434
3-amino-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]cyclohexane-1-carboxamide
CID 119711788
3-amino-N-(5-bromo-2-morpholin-4-ylphenyl)cyclohexane-1-carboxamide;dihydrochloride
CID 119833773
3-amino-N-[2-(methanesulfonamido)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119704020
3-amino-N-(1-methyl-2-oxo-3-pyridinyl)cyclohexane-1-carboxamide
CID 119782681

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3-aminocyclohexanecarbonyl)amino]phenyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-[(3-aminocyclohexanecarbonyl)amino]phenyl]piperidine-4-carboxamide (CID 119870587) is 1-[2-[(3-aminocyclohexanecarbonyl)amino]phenyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-[(3-aminocyclohexanecarbonyl)amino]phenyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-[(3-aminocyclohexanecarbonyl)amino]phenyl]piperidine-4-carboxamide is NC(=O)C1CCN(c2ccccc2NC(=O)C2CCCC(N)C2)CC1.
What is the InChIKey of 1-[2-[(3-aminocyclohexanecarbonyl)amino]phenyl]piperidine-4-carboxamide?
The InChIKey is NZWLAOXBYHOXED-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2/c20-15-5-3-4-14(12-15)19(25)22-16-6-1-2-7-17(16)23-10-8-13(9-11-23)18(21)24/h1-2,6-7,13-15H,3-5,8-12,20H2,(H2,21,24)(H,22,25).
What are the key properties of 1-[2-[(3-aminocyclohexanecarbonyl)amino]phenyl]piperidine-4-carboxamide?
1-[2-[(3-aminocyclohexanecarbonyl)amino]phenyl]piperidine-4-carboxamide has a molecular weight of 344.46 g/mol, XLogP of 1.84, 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]phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 119870587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).