(3R)-N-(4-chlorophenyl)-3-(3-oxo-3-pyrrolidin-1-ylpropyl)piperidine-1-carboxamide

C19H26ClN3O2 — CID 93072696

IUPAC(3R)-N-(4-chlorophenyl)-3-(3-oxo-3-pyrrolidin-1-ylpropyl)piperidine-1-carboxamide
SMILESO=C(CC[C@H]1CCCN(C(=O)Nc2ccc(Cl)cc2)C1)N1CCCC1
InChIInChI=1S/C19H26ClN3O2/c20-16-6-8-17(9-7-16)21-19(25)23-13-3-4-15(14-23)5-10-18(24)22-11-1-2-12-22/h6-9,15H,1-5,10-14H2,(H,21,25)/t15-/m1/s1
InChIKeyYWGGCOWRAXGNRY-OAHLLOKOSA-N
MW363.89 g/mol
LogP3.99
Rot. Bonds4

About (3R)-N-(4-chlorophenyl)-3-(3-oxo-3-pyrrolidin-1-ylpropyl)piperidine-1-carboxamide

(3R)-N-(4-chlorophenyl)-3-(3-oxo-3-pyrrolidin-1-ylpropyl)piperidine-1-carboxamide (PubChem CID 93072696) has the molecular formula C19H26ClN3O2 and a molecular weight of 363.89 g/mol. Its IUPAC name is (3R)-N-(4-chlorophenyl)-3-(3-oxo-3-pyrrolidin-1-ylpropyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-N-(4-chlorophenyl)-3-(3-oxo-3-pyrrolidin-1-ylpropyl)piperidine-1-carboxamide
PubChem CID93072696
Molecular FormulaC19H26ClN3O2
Molecular Weight363.89 g/mol
Exact Mass363.17
IUPAC Name(3R)-N-(4-chlorophenyl)-3-(3-oxo-3-pyrrolidin-1-ylpropyl)piperidine-1-carboxamide
SMILESO=C(CC[C@H]1CCCN(C(=O)Nc2ccc(Cl)cc2)C1)N1CCCC1
InChIInChI=1S/C19H26ClN3O2/c20-16-6-8-17(9-7-16)21-19(25)23-13-3-4-15(14-23)5-10-18(24)22-11-1-2-12-22/h6-9,15H,1-5,10-14H2,(H,21,25)/t15-/m1/s1
InChIKeyYWGGCOWRAXGNRY-OAHLLOKOSA-N
XLogP3.99
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.89
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-[3-(azepan-1-yl)-3-oxopropyl]-N-(4-chlorophenyl)piperidine-1-carboxamide
CID 95094157
(3R)-N-(4-methylphenyl)-3-(3-oxo-3-piperidin-1-ylpropyl)piperidine-1-carboxamide
CID 95056824
(3R)-N-(4-chlorophenyl)-3-(hydroxymethyl)piperidine-1-carboxamide
CID 9120034
(3R)-N-(4-methylphenyl)-3-(3-morpholin-4-yl-3-oxopropyl)piperidine-1-carboxamide
CID 95093847
(3S)-N-(4-chlorophenyl)-3-[3-(furan-2-ylmethylamino)-3-oxopropyl]piperidine-1-carboxamide
CID 95094155
(3S)-N-(4-chlorophenyl)-3-[3-[(4-methylphenyl)methylamino]-3-oxopropyl]piperidine-1-carboxamide
CID 95094149
(3R)-N-(4-chlorophenyl)-3-[3-oxo-3-[[(1S)-1-phenylethyl]amino]propyl]piperidine-1-carboxamide
CID 95094139
(3S)-3-[3-[4-(2-methylphenyl)piperazin-1-yl]-3-oxopropyl]-N-phenylpiperidine-1-carboxamide
CID 95094105
3-(2-aminoethyl)-N-(4-fluorophenyl)piperidine-1-carboxamide
CID 63766361
N-(4-chlorophenyl)-4-oxo-4-pyrrolidin-1-ylbutanamide
CID 51362513
methyl (3S)-1-[(4-chlorophenyl)carbamoyl]piperidine-3-carboxylate
CID 79039467
(3R)-3-amino-N-(4-chlorophenyl)pyrrolidine-1-carboxamide;hydrochloride
CID 165430484

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(4-chlorophenyl)-3-(3-oxo-3-pyrrolidin-1-ylpropyl)piperidine-1-carboxamide?
The IUPAC name of (3R)-N-(4-chlorophenyl)-3-(3-oxo-3-pyrrolidin-1-ylpropyl)piperidine-1-carboxamide (CID 93072696) is (3R)-N-(4-chlorophenyl)-3-(3-oxo-3-pyrrolidin-1-ylpropyl)piperidine-1-carboxamide.
What is the SMILES notation for (3R)-N-(4-chlorophenyl)-3-(3-oxo-3-pyrrolidin-1-ylpropyl)piperidine-1-carboxamide?
The canonical SMILES for (3R)-N-(4-chlorophenyl)-3-(3-oxo-3-pyrrolidin-1-ylpropyl)piperidine-1-carboxamide is O=C(CC[C@H]1CCCN(C(=O)Nc2ccc(Cl)cc2)C1)N1CCCC1.
What is the InChIKey of (3R)-N-(4-chlorophenyl)-3-(3-oxo-3-pyrrolidin-1-ylpropyl)piperidine-1-carboxamide?
The InChIKey is YWGGCOWRAXGNRY-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H26ClN3O2/c20-16-6-8-17(9-7-16)21-19(25)23-13-3-4-15(14-23)5-10-18(24)22-11-1-2-12-22/h6-9,15H,1-5,10-14H2,(H,21,25)/t15-/m1/s1.
What are the key properties of (3R)-N-(4-chlorophenyl)-3-(3-oxo-3-pyrrolidin-1-ylpropyl)piperidine-1-carboxamide?
(3R)-N-(4-chlorophenyl)-3-(3-oxo-3-pyrrolidin-1-ylpropyl)piperidine-1-carboxamide has a molecular weight of 363.89 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(4-chlorophenyl)-3-(3-oxo-3-pyrrolidin-1-ylpropyl)piperidine-1-carboxamide is sourced from PubChem (CID 93072696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).