(3R)-1-(4-chlorobenzoyl)-N-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)piperidine-3-carboxamide

C20H22ClN3O3 — CID 97352287

IUPAC(3R)-1-(4-chlorobenzoyl)-N-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)piperidine-3-carboxamide
SMILESCc1noc(C2CC2)c1NC(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1
InChIInChI=1S/C20H22ClN3O3/c1-12-17(18(27-23-12)13-4-5-13)22-19(25)15-3-2-10-24(11-15)20(26)14-6-8-16(21)9-7-14/h6-9,13,15H,2-5,10-11H2,1H3,(H,22,25)/t15-/m1/s1
InChIKeyJJWLOTFEDPIIAS-OAHLLOKOSA-N
MW387.87 g/mol
LogP4.00
Rot. Bonds4

About (3R)-1-(4-chlorobenzoyl)-N-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)piperidine-3-carboxamide

(3R)-1-(4-chlorobenzoyl)-N-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)piperidine-3-carboxamide (PubChem CID 97352287) has the molecular formula C20H22ClN3O3 and a molecular weight of 387.87 g/mol. Its IUPAC name is (3R)-1-(4-chlorobenzoyl)-N-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(4-chlorobenzoyl)-N-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)piperidine-3-carboxamide
PubChem CID97352287
Molecular FormulaC20H22ClN3O3
Molecular Weight387.87 g/mol
Exact Mass387.13
IUPAC Name(3R)-1-(4-chlorobenzoyl)-N-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)piperidine-3-carboxamide
SMILESCc1noc(C2CC2)c1NC(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1
InChIInChI=1S/C20H22ClN3O3/c1-12-17(18(27-23-12)13-4-5-13)22-19(25)15-3-2-10-24(11-15)20(26)14-6-8-16(21)9-7-14/h6-9,13,15H,2-5,10-11H2,1H3,(H,22,25)/t15-/m1/s1
InChIKeyJJWLOTFEDPIIAS-OAHLLOKOSA-N
XLogP4.00
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.87
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chlorobenzoyl)-N-(2,4,6-trimethyl-3-pyridinyl)piperidine-3-carboxamide
CID 78838219
1-(4-chlorobenzoyl)-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 51188759
1-(4-chlorobenzoyl)-N-(3,4-dimethylphenyl)piperidine-3-carboxamide
CID 4876797
1-(4-chlorobenzoyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidine-3-carboxamide
CID 48731280
1-(4-chlorobenzoyl)-N-ethylpiperidine-3-carboxamide
CID 47100006
1-(4-chlorobenzoyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
CID 51241893
1-(4-chlorobenzoyl)-N-[4-(4-methylphenoxy)phenyl]piperidine-3-carboxamide
CID 4202434
1-(4-chlorobenzoyl)-N-(4-chloro-2-fluorophenyl)piperidine-3-carboxamide
CID 134062571
1-(4-chlorobenzoyl)-N-[2-[(4-chlorobenzoyl)amino]phenyl]piperidine-3-carboxamide
CID 46439094
1-(4-chlorobenzoyl)-N-(4-methylsulfonylphenyl)piperidine-3-carboxamide
CID 25162245
(3S)-1-(4-chlorobenzoyl)-N-ethoxypiperidine-3-carboxamide
CID 94171693
ethyl 2-[[(3S)-1-(4-chlorobenzoyl)piperidine-3-carbonyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 26266782

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(4-chlorobenzoyl)-N-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)piperidine-3-carboxamide?
The IUPAC name of (3R)-1-(4-chlorobenzoyl)-N-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)piperidine-3-carboxamide (CID 97352287) is (3R)-1-(4-chlorobenzoyl)-N-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(4-chlorobenzoyl)-N-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-(4-chlorobenzoyl)-N-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)piperidine-3-carboxamide is Cc1noc(C2CC2)c1NC(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1.
What is the InChIKey of (3R)-1-(4-chlorobenzoyl)-N-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)piperidine-3-carboxamide?
The InChIKey is JJWLOTFEDPIIAS-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H22ClN3O3/c1-12-17(18(27-23-12)13-4-5-13)22-19(25)15-3-2-10-24(11-15)20(26)14-6-8-16(21)9-7-14/h6-9,13,15H,2-5,10-11H2,1H3,(H,22,25)/t15-/m1/s1.
What are the key properties of (3R)-1-(4-chlorobenzoyl)-N-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)piperidine-3-carboxamide?
(3R)-1-(4-chlorobenzoyl)-N-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)piperidine-3-carboxamide has a molecular weight of 387.87 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(4-chlorobenzoyl)-N-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)piperidine-3-carboxamide is sourced from PubChem (CID 97352287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).