(3S)-3-[[(4-methylbenzoyl)amino]carbamoyl]piperidine-1-carboxamide

C15H20N4O3 — CID 9086796

IUPAC(3S)-3-[[(4-methylbenzoyl)amino]carbamoyl]piperidine-1-carboxamide
SMILESCc1ccc(C(=O)NNC(=O)[C@H]2CCCN(C(N)=O)C2)cc1
InChIInChI=1S/C15H20N4O3/c1-10-4-6-11(7-5-10)13(20)17-18-14(21)12-3-2-8-19(9-12)15(16)22/h4-7,12H,2-3,8-9H2,1H3,(H2,16,22)(H,17,20)(H,18,21)/t12-/m0/s1
InChIKeyHLMBFCGPCIOWMD-LBPRGKRZSA-N
MW304.35 g/mol
LogP0.55
Rot. Bonds2

About (3S)-3-[[(4-methylbenzoyl)amino]carbamoyl]piperidine-1-carboxamide

(3S)-3-[[(4-methylbenzoyl)amino]carbamoyl]piperidine-1-carboxamide (PubChem CID 9086796) has the molecular formula C15H20N4O3 and a molecular weight of 304.35 g/mol. Its IUPAC name is (3S)-3-[[(4-methylbenzoyl)amino]carbamoyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-3-[[(4-methylbenzoyl)amino]carbamoyl]piperidine-1-carboxamide
PubChem CID9086796
Molecular FormulaC15H20N4O3
Molecular Weight304.35 g/mol
Exact Mass304.15
IUPAC Name(3S)-3-[[(4-methylbenzoyl)amino]carbamoyl]piperidine-1-carboxamide
SMILESCc1ccc(C(=O)NNC(=O)[C@H]2CCCN(C(N)=O)C2)cc1
InChIInChI=1S/C15H20N4O3/c1-10-4-6-11(7-5-10)13(20)17-18-14(21)12-3-2-8-19(9-12)15(16)22/h4-7,12H,2-3,8-9H2,1H3,(H2,16,22)(H,17,20)(H,18,21)/t12-/m0/s1
InChIKeyHLMBFCGPCIOWMD-LBPRGKRZSA-N
XLogP0.55
TPSA104.53 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 50.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(3S)-3-[[(3,4,5-triethoxybenzoyl)amino]carbamoyl]piperidine-1-carboxamide
CID 9084642
(3S)-N'-(4-methylbenzoyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carbohydrazide
CID 9473922
(3R)-3-[[(2-chlorobenzoyl)amino]carbamoyl]piperidine-1-carboxamide
CID 8870376
(3S)-3-[[(4-ethoxy-3-methoxybenzoyl)amino]carbamoyl]piperidine-1-carboxamide
CID 9090523
4-[(1-carbamoylpiperidine-3-carbonyl)amino]benzoic acid
CID 43170125
(3S)-3-[[[2-(3,5-dimethylphenoxy)acetyl]amino]carbamoyl]piperidine-1-carboxamide
CID 9085756
N-[4-(carbamoylamino)phenyl]-1-(4-methylbenzoyl)piperidine-3-carboxamide
CID 55627027
(3R)-N'-(4-methylbenzoyl)-1-thiophen-2-ylsulfonylpiperidine-3-carbohydrazide
CID 9086805
(3S)-1-acetyl-N'-[4-(phenoxymethyl)benzoyl]piperidine-3-carbohydrazide
CID 9274909
N'-(3-methoxy-4-propoxybenzoyl)-1-(4-methylbenzoyl)piperidine-3-carbohydrazide
CID 55624623
(3R)-3-[4-(4-methylphenyl)sulfonylpiperazine-1-carbonyl]piperidine-1-carboxamide
CID 9087013
3-N-[2-(methylcarbamoyl)phenyl]piperidine-1,3-dicarboxamide
CID 43022872

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[[(4-methylbenzoyl)amino]carbamoyl]piperidine-1-carboxamide?
The IUPAC name of (3S)-3-[[(4-methylbenzoyl)amino]carbamoyl]piperidine-1-carboxamide (CID 9086796) is (3S)-3-[[(4-methylbenzoyl)amino]carbamoyl]piperidine-1-carboxamide.
What is the SMILES notation for (3S)-3-[[(4-methylbenzoyl)amino]carbamoyl]piperidine-1-carboxamide?
The canonical SMILES for (3S)-3-[[(4-methylbenzoyl)amino]carbamoyl]piperidine-1-carboxamide is Cc1ccc(C(=O)NNC(=O)[C@H]2CCCN(C(N)=O)C2)cc1.
What is the InChIKey of (3S)-3-[[(4-methylbenzoyl)amino]carbamoyl]piperidine-1-carboxamide?
The InChIKey is HLMBFCGPCIOWMD-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H20N4O3/c1-10-4-6-11(7-5-10)13(20)17-18-14(21)12-3-2-8-19(9-12)15(16)22/h4-7,12H,2-3,8-9H2,1H3,(H2,16,22)(H,17,20)(H,18,21)/t12-/m0/s1.
What are the key properties of (3S)-3-[[(4-methylbenzoyl)amino]carbamoyl]piperidine-1-carboxamide?
(3S)-3-[[(4-methylbenzoyl)amino]carbamoyl]piperidine-1-carboxamide has a molecular weight of 304.35 g/mol, XLogP of 0.55, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[[(4-methylbenzoyl)amino]carbamoyl]piperidine-1-carboxamide is sourced from PubChem (CID 9086796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).