N-(2-hydroxyphenyl)-1-[(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]piperidine-4-carboxamide

C24H29N3O3 — CID 41099612

IUPACN-(2-hydroxyphenyl)-1-[(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]piperidine-4-carboxamide
SMILESO=C(Nc1ccccc1O)C1CCN([C@@H](C(=O)N2CCCC2)c2ccccc2)CC1
InChIInChI=1S/C24H29N3O3/c28-21-11-5-4-10-20(21)25-23(29)19-12-16-26(17-13-19)22(18-8-2-1-3-9-18)24(30)27-14-6-7-15-27/h1-5,8-11,19,22,28H,6-7,12-17H2,(H,25,29)/t22-/m1/s1
InChIKeyYLHZQUDGBCWUFU-JOCHJYFZSA-N
MW407.51 g/mol
LogP3.41
Rot. Bonds5

About N-(2-hydroxyphenyl)-1-[(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]piperidine-4-carboxamide

N-(2-hydroxyphenyl)-1-[(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]piperidine-4-carboxamide (PubChem CID 41099612) has the molecular formula C24H29N3O3 and a molecular weight of 407.51 g/mol. Its IUPAC name is N-(2-hydroxyphenyl)-1-[(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyphenyl)-1-[(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]piperidine-4-carboxamide
PubChem CID41099612
Molecular FormulaC24H29N3O3
Molecular Weight407.51 g/mol
Exact Mass407.22
IUPAC NameN-(2-hydroxyphenyl)-1-[(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]piperidine-4-carboxamide
SMILESO=C(Nc1ccccc1O)C1CCN([C@@H](C(=O)N2CCCC2)c2ccccc2)CC1
InChIInChI=1S/C24H29N3O3/c28-21-11-5-4-10-20(21)25-23(29)19-12-16-26(17-13-19)22(18-8-2-1-3-9-18)24(30)27-14-6-7-15-27/h1-5,8-11,19,22,28H,6-7,12-17H2,(H,25,29)/t22-/m1/s1
InChIKeyYLHZQUDGBCWUFU-JOCHJYFZSA-N
XLogP3.41
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.51
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

1-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]-N-phenylpiperidine-4-carboxamide
CID 9134665
1-[(1S)-2-(3,5-dimethylanilino)-2-oxo-1-phenylethyl]-N-(2-hydroxyphenyl)piperidine-4-carboxamide
CID 41112937
2-(4-hydroxypiperidin-1-yl)-2-phenyl-1-piperidin-1-ylethanone
CID 43013126
2-phenyl-1-piperidin-1-yl-2-pyrrolidin-1-ylethanone
CID 47010733
N-(2-hydroxyphenyl)-1-[(1S)-2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl]piperidine-4-carboxamide
CID 34722221
N-benzyl-1-(2-phenyl-2-pyrrolidin-1-ylacetyl)piperidine-4-carboxamide
CID 86888388
2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-phenyl-1-pyrrolidin-1-ylethanone
CID 17477999
4-(2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl)-N-phenylpiperazine-1-carboxamide
CID 17438630
N-methyl-N-[1-(2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl)piperidin-4-yl]methanesulfonamide
CID 48736574
1-[(2S)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]-N-(2-hydroxyphenyl)piperidine-4-carboxamide
CID 26385714
1-(2,2-dimethylpropanoyl)-N-(2-hydroxyphenyl)piperidine-4-carboxamide
CID 18126290
N-(2-hydroxyphenyl)-1-(1-pyrimidin-2-ylethyl)piperidine-4-carboxamide
CID 126839220

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyphenyl)-1-[(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]piperidine-4-carboxamide?
The IUPAC name of N-(2-hydroxyphenyl)-1-[(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]piperidine-4-carboxamide (CID 41099612) is N-(2-hydroxyphenyl)-1-[(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(2-hydroxyphenyl)-1-[(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]piperidine-4-carboxamide?
The canonical SMILES for N-(2-hydroxyphenyl)-1-[(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]piperidine-4-carboxamide is O=C(Nc1ccccc1O)C1CCN([C@@H](C(=O)N2CCCC2)c2ccccc2)CC1.
What is the InChIKey of N-(2-hydroxyphenyl)-1-[(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]piperidine-4-carboxamide?
The InChIKey is YLHZQUDGBCWUFU-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H29N3O3/c28-21-11-5-4-10-20(21)25-23(29)19-12-16-26(17-13-19)22(18-8-2-1-3-9-18)24(30)27-14-6-7-15-27/h1-5,8-11,19,22,28H,6-7,12-17H2,(H,25,29)/t22-/m1/s1.
What are the key properties of N-(2-hydroxyphenyl)-1-[(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]piperidine-4-carboxamide?
N-(2-hydroxyphenyl)-1-[(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]piperidine-4-carboxamide has a molecular weight of 407.51 g/mol, XLogP of 3.41, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyphenyl)-1-[(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]piperidine-4-carboxamide is sourced from PubChem (CID 41099612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).