(3R)-3-[[(2-chlorobenzoyl)amino]carbamoyl]piperidine-1-carboxamide

C14H17ClN4O3 — CID 8870376

IUPAC(3R)-3-[[(2-chlorobenzoyl)amino]carbamoyl]piperidine-1-carboxamide
SMILESNC(=O)N1CCC[C@@H](C(=O)NNC(=O)c2ccccc2Cl)C1
InChIInChI=1S/C14H17ClN4O3/c15-11-6-2-1-5-10(11)13(21)18-17-12(20)9-4-3-7-19(8-9)14(16)22/h1-2,5-6,9H,3-4,7-8H2,(H2,16,22)(H,17,20)(H,18,21)/t9-/m1/s1
InChIKeyDHXQCZDESVRFQS-SECBINFHSA-N
MW324.77 g/mol
LogP0.89
Rot. Bonds2

About (3R)-3-[[(2-chlorobenzoyl)amino]carbamoyl]piperidine-1-carboxamide

(3R)-3-[[(2-chlorobenzoyl)amino]carbamoyl]piperidine-1-carboxamide (PubChem CID 8870376) has the molecular formula C14H17ClN4O3 and a molecular weight of 324.77 g/mol. Its IUPAC name is (3R)-3-[[(2-chlorobenzoyl)amino]carbamoyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-3-[[(2-chlorobenzoyl)amino]carbamoyl]piperidine-1-carboxamide
PubChem CID8870376
Molecular FormulaC14H17ClN4O3
Molecular Weight324.77 g/mol
Exact Mass324.10
IUPAC Name(3R)-3-[[(2-chlorobenzoyl)amino]carbamoyl]piperidine-1-carboxamide
SMILESNC(=O)N1CCC[C@@H](C(=O)NNC(=O)c2ccccc2Cl)C1
InChIInChI=1S/C14H17ClN4O3/c15-11-6-2-1-5-10(11)13(21)18-17-12(20)9-4-3-7-19(8-9)14(16)22/h1-2,5-6,9H,3-4,7-8H2,(H2,16,22)(H,17,20)(H,18,21)/t9-/m1/s1
InChIKeyDHXQCZDESVRFQS-SECBINFHSA-N
XLogP0.89
TPSA104.53 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.77
LogP ≤ 50.89
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

3-N-[2-(methylcarbamoyl)phenyl]piperidine-1,3-dicarboxamide
CID 43022872
(3S)-3-[[(4-methylbenzoyl)amino]carbamoyl]piperidine-1-carboxamide
CID 9086796
ethyl 3-[[(2-hydroxybenzoyl)amino]carbamoyl]piperidine-1-carboxylate
CID 43057131
(3S)-3-N-benzylpiperidine-1,3-dicarboxamide
CID 9070998
(3R)-3-N-[2-(2,3-dichlorophenyl)ethyl]piperidine-1,3-dicarboxamide
CID 95156511
(3S)-3-N-pyridin-2-ylpiperidine-1,3-dicarboxamide
CID 51927409
3-[2-(2-chlorophenyl)pyrrolidine-1-carbonyl]piperidine-1-carboxamide
CID 136578562
(2R)-2-[[(3S)-1-carbamoylpiperidine-3-carbonyl]amino]-2-phenylacetic acid
CID 125148264
(1R,6R)-N'-(2-chlorobenzoyl)bicyclo[4.1.0]heptane-7-carbohydrazide
CID 795714
N'-(2-hydroxybenzoyl)-1-(thiophene-2-carbonyl)piperidine-3-carbohydrazide
CID 46556792
2-chloro-N-[(cyclohexanecarbonylamino)carbamothioyl]benzamide
CID 3542788
3-N-[3-[(2-chlorophenyl)methylsulfanyl]propyl]piperidine-1,3-dicarboxamide
CID 70769016

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[[(2-chlorobenzoyl)amino]carbamoyl]piperidine-1-carboxamide?
The IUPAC name of (3R)-3-[[(2-chlorobenzoyl)amino]carbamoyl]piperidine-1-carboxamide (CID 8870376) is (3R)-3-[[(2-chlorobenzoyl)amino]carbamoyl]piperidine-1-carboxamide.
What is the SMILES notation for (3R)-3-[[(2-chlorobenzoyl)amino]carbamoyl]piperidine-1-carboxamide?
The canonical SMILES for (3R)-3-[[(2-chlorobenzoyl)amino]carbamoyl]piperidine-1-carboxamide is NC(=O)N1CCC[C@@H](C(=O)NNC(=O)c2ccccc2Cl)C1.
What is the InChIKey of (3R)-3-[[(2-chlorobenzoyl)amino]carbamoyl]piperidine-1-carboxamide?
The InChIKey is DHXQCZDESVRFQS-SECBINFHSA-N. The full InChI is InChI=1S/C14H17ClN4O3/c15-11-6-2-1-5-10(11)13(21)18-17-12(20)9-4-3-7-19(8-9)14(16)22/h1-2,5-6,9H,3-4,7-8H2,(H2,16,22)(H,17,20)(H,18,21)/t9-/m1/s1.
What are the key properties of (3R)-3-[[(2-chlorobenzoyl)amino]carbamoyl]piperidine-1-carboxamide?
(3R)-3-[[(2-chlorobenzoyl)amino]carbamoyl]piperidine-1-carboxamide has a molecular weight of 324.77 g/mol, XLogP of 0.89, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[[(2-chlorobenzoyl)amino]carbamoyl]piperidine-1-carboxamide is sourced from PubChem (CID 8870376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).