1-[3-(carbamoylamino)benzoyl]-N-methylpiperidine-3-carboxamide

C15H20N4O3 — CID 119128282

IUPAC1-[3-(carbamoylamino)benzoyl]-N-methylpiperidine-3-carboxamide
SMILESCNC(=O)C1CCCN(C(=O)c2cccc(NC(N)=O)c2)C1
InChIInChI=1S/C15H20N4O3/c1-17-13(20)11-5-3-7-19(9-11)14(21)10-4-2-6-12(8-10)18-15(16)22/h2,4,6,8,11H,3,5,7,9H2,1H3,(H,17,20)(H3,16,18,22)
InChIKeyPMWXJMPCTJCFPD-UHFFFAOYSA-N
MW304.35 g/mol
LogP0.78
Rot. Bonds3

About 1-[3-(carbamoylamino)benzoyl]-N-methylpiperidine-3-carboxamide

1-[3-(carbamoylamino)benzoyl]-N-methylpiperidine-3-carboxamide (PubChem CID 119128282) has the molecular formula C15H20N4O3 and a molecular weight of 304.35 g/mol. Its IUPAC name is 1-[3-(carbamoylamino)benzoyl]-N-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[3-(carbamoylamino)benzoyl]-N-methylpiperidine-3-carboxamide
PubChem CID119128282
Molecular FormulaC15H20N4O3
Molecular Weight304.35 g/mol
Exact Mass304.15
IUPAC Name1-[3-(carbamoylamino)benzoyl]-N-methylpiperidine-3-carboxamide
SMILESCNC(=O)C1CCCN(C(=O)c2cccc(NC(N)=O)c2)C1
InChIInChI=1S/C15H20N4O3/c1-17-13(20)11-5-3-7-19(9-11)14(21)10-4-2-6-12(8-10)18-15(16)22/h2,4,6,8,11H,3,5,7,9H2,1H3,(H,17,20)(H3,16,18,22)
InChIKeyPMWXJMPCTJCFPD-UHFFFAOYSA-N
XLogP0.78
TPSA104.53 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(3-ethylpiperidine-1-carbonyl)phenyl]urea
CID 47184335
ethyl 1-[3-(cyclopropanecarbonylamino)benzoyl]piperidine-3-carboxylate
CID 47005233
[3-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carbonyl]phenyl]urea
CID 9225541
1-(3-benzamidobenzoyl)-N-propan-2-ylpiperidine-3-carboxamide
CID 46387250
1-(3-acetamidobenzoyl)-N-(4-chlorophenyl)piperidine-3-carboxamide
CID 71681887
1-(3,4-dihydroxybenzoyl)-N-methylpiperidine-3-carboxamide
CID 103956056
N-methyl-1-(pyridine-4-carbonyl)piperidine-3-carboxamide
CID 110258723
3-N-methyl-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide
CID 47323838
N-[3-(3-methylpiperidine-1-carbonyl)phenyl]cyclopropanecarboxamide
CID 51149495
[3-[3-(ethoxymethyl)piperidine-1-carbonyl]phenyl]urea
CID 119130031
N-[3-(3-hydroxypiperidine-1-carbonyl)phenyl]cyclobutanecarboxamide
CID 110930987
N-cyclopentyl-1-[3-(2,2-dimethylpropanoylamino)benzoyl]piperidine-3-carboxamide
CID 50829342

Frequently Asked Questions

What is the IUPAC name of 1-[3-(carbamoylamino)benzoyl]-N-methylpiperidine-3-carboxamide?
The IUPAC name of 1-[3-(carbamoylamino)benzoyl]-N-methylpiperidine-3-carboxamide (CID 119128282) is 1-[3-(carbamoylamino)benzoyl]-N-methylpiperidine-3-carboxamide.
What is the SMILES notation for 1-[3-(carbamoylamino)benzoyl]-N-methylpiperidine-3-carboxamide?
The canonical SMILES for 1-[3-(carbamoylamino)benzoyl]-N-methylpiperidine-3-carboxamide is CNC(=O)C1CCCN(C(=O)c2cccc(NC(N)=O)c2)C1.
What is the InChIKey of 1-[3-(carbamoylamino)benzoyl]-N-methylpiperidine-3-carboxamide?
The InChIKey is PMWXJMPCTJCFPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O3/c1-17-13(20)11-5-3-7-19(9-11)14(21)10-4-2-6-12(8-10)18-15(16)22/h2,4,6,8,11H,3,5,7,9H2,1H3,(H,17,20)(H3,16,18,22).
What are the key properties of 1-[3-(carbamoylamino)benzoyl]-N-methylpiperidine-3-carboxamide?
1-[3-(carbamoylamino)benzoyl]-N-methylpiperidine-3-carboxamide has a molecular weight of 304.35 g/mol, XLogP of 0.78, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(carbamoylamino)benzoyl]-N-methylpiperidine-3-carboxamide is sourced from PubChem (CID 119128282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).