(3S)-3-hydroxy-1-(4-phenylbenzoyl)piperidine-3-carboxamide

C19H20N2O3 — CID 100651742

IUPAC(3S)-3-hydroxy-1-(4-phenylbenzoyl)piperidine-3-carboxamide
SMILESNC(=O)[C@]1(O)CCCN(C(=O)c2ccc(-c3ccccc3)cc2)C1
InChIInChI=1S/C19H20N2O3/c20-18(23)19(24)11-4-12-21(13-19)17(22)16-9-7-15(8-10-16)14-5-2-1-3-6-14/h1-3,5-10,24H,4,11-13H2,(H2,20,23)/t19-/m0/s1
InChIKeyJOLMRTGZJNPQON-IBGZPJMESA-N
MW324.38 g/mol
LogP1.81
Rot. Bonds3

About (3S)-3-hydroxy-1-(4-phenylbenzoyl)piperidine-3-carboxamide

(3S)-3-hydroxy-1-(4-phenylbenzoyl)piperidine-3-carboxamide (PubChem CID 100651742) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is (3S)-3-hydroxy-1-(4-phenylbenzoyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-3-hydroxy-1-(4-phenylbenzoyl)piperidine-3-carboxamide
PubChem CID100651742
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name(3S)-3-hydroxy-1-(4-phenylbenzoyl)piperidine-3-carboxamide
SMILESNC(=O)[C@]1(O)CCCN(C(=O)c2ccc(-c3ccccc3)cc2)C1
InChIInChI=1S/C19H20N2O3/c20-18(23)19(24)11-4-12-21(13-19)17(22)16-9-7-15(8-10-16)14-5-2-1-3-6-14/h1-3,5-10,24H,4,11-13H2,(H2,20,23)/t19-/m0/s1
InChIKeyJOLMRTGZJNPQON-IBGZPJMESA-N
XLogP1.81
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(1-hydroxycyclopentanecarbonyl)piperazin-1-yl]-(4-phenylphenyl)methanone
CID 86275794
1-(4-chloro-3-methylbenzoyl)-3-hydroxypiperidine-3-carboxamide
CID 128964411
(3R)-3-hydroxy-1-(2-phenoxybenzoyl)piperidine-3-carboxamide
CID 129485563
[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]-(4-phenylphenyl)methanone
CID 86275791
(3S)-3-hydroxy-1-[5-(3-methylphenyl)pyridine-3-carbonyl]piperidine-3-carboxamide
CID 129485829
3-hydroxy-1-(5-methylfuran-3-carbonyl)piperidine-3-carboxamide
CID 128964564
(3S)-1-(3-bromo-5-methylbenzoyl)-3-hydroxypiperidine-3-carboxamide
CID 100652020
(3-aminopiperidin-1-yl)-(4-phenylphenyl)methanone;hydrochloride
CID 119381362
(3-hydroxy-3-methylpiperidin-1-yl)-[4-[3-(1,2,4-triazol-4-yl)phenyl]phenyl]methanone
CID 122567025
1-(4-chloro-2-methylbenzoyl)-3-hydroxypiperidine-3-carboxamide
CID 128964687
(3-hydroxy-3-methylpiperidin-1-yl)-(4-methylphenyl)methanone
CID 115875217
(3S)-1-(3-chloropyridine-4-carbonyl)-3-hydroxypiperidine-3-carboxamide
CID 129485786

Frequently Asked Questions

What is the IUPAC name of (3S)-3-hydroxy-1-(4-phenylbenzoyl)piperidine-3-carboxamide?
The IUPAC name of (3S)-3-hydroxy-1-(4-phenylbenzoyl)piperidine-3-carboxamide (CID 100651742) is (3S)-3-hydroxy-1-(4-phenylbenzoyl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-3-hydroxy-1-(4-phenylbenzoyl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-3-hydroxy-1-(4-phenylbenzoyl)piperidine-3-carboxamide is NC(=O)[C@]1(O)CCCN(C(=O)c2ccc(-c3ccccc3)cc2)C1.
What is the InChIKey of (3S)-3-hydroxy-1-(4-phenylbenzoyl)piperidine-3-carboxamide?
The InChIKey is JOLMRTGZJNPQON-IBGZPJMESA-N. The full InChI is InChI=1S/C19H20N2O3/c20-18(23)19(24)11-4-12-21(13-19)17(22)16-9-7-15(8-10-16)14-5-2-1-3-6-14/h1-3,5-10,24H,4,11-13H2,(H2,20,23)/t19-/m0/s1.
What are the key properties of (3S)-3-hydroxy-1-(4-phenylbenzoyl)piperidine-3-carboxamide?
(3S)-3-hydroxy-1-(4-phenylbenzoyl)piperidine-3-carboxamide has a molecular weight of 324.38 g/mol, XLogP of 1.81, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-hydroxy-1-(4-phenylbenzoyl)piperidine-3-carboxamide is sourced from PubChem (CID 100651742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).