3-amino-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]cyclohexane-1-carboxamide

C20H29N3O2 — CID 119711788

IUPAC3-amino-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]cyclohexane-1-carboxamide
SMILESCC1CCN(C(=O)c2ccccc2NC(=O)C2CCCC(N)C2)CC1
InChIInChI=1S/C20H29N3O2/c1-14-9-11-23(12-10-14)20(25)17-7-2-3-8-18(17)22-19(24)15-5-4-6-16(21)13-15/h2-3,7-8,14-16H,4-6,9-13,21H2,1H3,(H,22,24)
InChIKeyFJMGLVUVUBSXCZ-UHFFFAOYSA-N
MW343.47 g/mol
LogP3.01
Rot. Bonds3

About 3-amino-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]cyclohexane-1-carboxamide

3-amino-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]cyclohexane-1-carboxamide (PubChem CID 119711788) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is 3-amino-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]cyclohexane-1-carboxamide
PubChem CID119711788
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC Name3-amino-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]cyclohexane-1-carboxamide
SMILESCC1CCN(C(=O)c2ccccc2NC(=O)C2CCCC(N)C2)CC1
InChIInChI=1S/C20H29N3O2/c1-14-9-11-23(12-10-14)20(25)17-7-2-3-8-18(17)22-19(24)15-5-4-6-16(21)13-15/h2-3,7-8,14-16H,4-6,9-13,21H2,1H3,(H,22,24)
InChIKeyFJMGLVUVUBSXCZ-UHFFFAOYSA-N
XLogP3.01
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[(3-aminocyclohexanecarbonyl)amino]benzoyl]piperidine-4-carboxamide;hydrochloride
CID 119718652
N-[2-(4-methylpiperidine-1-carbonyl)phenyl]cyclohexanecarboxamide
CID 4939416
[2-(4-methylpiperidine-1-carbonyl)phenyl]thiourea
CID 169356775
N-[2-(4-methylpiperazine-1-carbonyl)phenyl]cyclohexanecarboxamide
CID 4943642
2-[(3-aminocyclohexanecarbonyl)amino]-N-(2-methylpropyl)benzamide
CID 119684630
2-[2-(4-methylpiperidine-1-carbonyl)anilino]ethene-1,1,2-tricarbonitrile
CID 168607156
3-amino-N-(3-chloro-2-methylphenyl)cyclohexane-1-carboxamide
CID 55146162
3-amino-N-[2-(dimethylamino)phenyl]cyclohexane-1-carboxamide
CID 63044143
1-methyl-N-[2-(piperidine-1-carbonyl)phenyl]piperidine-4-carboxamide
CID 99817673
N-[2-(azepane-1-carbonyl)phenyl]-1-methylpiperidine-4-carboxamide
CID 99970642
3-amino-N-naphthalen-1-ylcyclohexane-1-carboxamide
CID 63042139
4-methyl-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]benzamide
CID 566959

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]cyclohexane-1-carboxamide?
The IUPAC name of 3-amino-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]cyclohexane-1-carboxamide (CID 119711788) is 3-amino-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 3-amino-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]cyclohexane-1-carboxamide?
The canonical SMILES for 3-amino-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]cyclohexane-1-carboxamide is CC1CCN(C(=O)c2ccccc2NC(=O)C2CCCC(N)C2)CC1.
What is the InChIKey of 3-amino-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]cyclohexane-1-carboxamide?
The InChIKey is FJMGLVUVUBSXCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2/c1-14-9-11-23(12-10-14)20(25)17-7-2-3-8-18(17)22-19(24)15-5-4-6-16(21)13-15/h2-3,7-8,14-16H,4-6,9-13,21H2,1H3,(H,22,24).
What are the key properties of 3-amino-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]cyclohexane-1-carboxamide?
3-amino-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]cyclohexane-1-carboxamide has a molecular weight of 343.47 g/mol, XLogP of 3.01, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 119711788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).