(2R)-N-[(2R)-2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide

C22H27N3O3 — CID 97014692

IUPAC(2R)-N-[(2R)-2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
SMILESO=C(NC[C@H](CO)Cc1ccccn1)[C@@H](c1ccccc1)N1CCCCC1=O
InChIInChI=1S/C22H27N3O3/c26-16-17(14-19-10-4-6-12-23-19)15-24-22(28)21(18-8-2-1-3-9-18)25-13-7-5-11-20(25)27/h1-4,6,8-10,12,17,21,26H,5,7,11,13-16H2,(H,24,28)/t17-,21-/m1/s1
InChIKeyYFFRTEQRPROEKK-DYESRHJHSA-N
MW381.48 g/mol
LogP2.10
Rot. Bonds8

About (2R)-N-[(2R)-2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide

(2R)-N-[(2R)-2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide (PubChem CID 97014692) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is (2R)-N-[(2R)-2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide.

Molecular Properties

Compound Name(2R)-N-[(2R)-2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
PubChem CID97014692
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC Name(2R)-N-[(2R)-2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
SMILESO=C(NC[C@H](CO)Cc1ccccn1)[C@@H](c1ccccc1)N1CCCCC1=O
InChIInChI=1S/C22H27N3O3/c26-16-17(14-19-10-4-6-12-23-19)15-24-22(28)21(18-8-2-1-3-9-18)25-13-7-5-11-20(25)27/h1-4,6,8-10,12,17,21,26H,5,7,11,13-16H2,(H,24,28)/t17-,21-/m1/s1
InChIKeyYFFRTEQRPROEKK-DYESRHJHSA-N
XLogP2.10
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-2-phenylsulfanylacetamide
CID 111784465
2-(cyclohexen-1-yl)-N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]acetamide
CID 111784877
N-(cyclopropylmethyl)-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
CID 56515214
N-(3-aminopropyl)-2-(2-oxopiperidin-1-yl)-2-phenylacetamide;hydrochloride
CID 119406812
2-(2,5-dimethylpyrrolidin-1-yl)-N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]propanamide
CID 75381073
N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
CID 56538470
N-(3-hydroxy-4-methylpentyl)-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
CID 111461259
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
CID 56514621
N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]bicyclo[3.1.0]hexane-6-carboxamide
CID 111784693
3-cyclopentyl-N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-2-methylpropanamide
CID 111784848
2-(2-oxopiperidin-1-yl)-2-phenyl-N-[[4-(phenylmethoxymethyl)phenyl]methyl]acetamide
CID 56577878
1-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-3-(3-phenylbutan-2-yl)urea
CID 111795206

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(2R)-2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide?
The IUPAC name of (2R)-N-[(2R)-2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide (CID 97014692) is (2R)-N-[(2R)-2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide.
What is the SMILES notation for (2R)-N-[(2R)-2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide?
The canonical SMILES for (2R)-N-[(2R)-2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide is O=C(NC[C@H](CO)Cc1ccccn1)[C@@H](c1ccccc1)N1CCCCC1=O.
What is the InChIKey of (2R)-N-[(2R)-2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide?
The InChIKey is YFFRTEQRPROEKK-DYESRHJHSA-N. The full InChI is InChI=1S/C22H27N3O3/c26-16-17(14-19-10-4-6-12-23-19)15-24-22(28)21(18-8-2-1-3-9-18)25-13-7-5-11-20(25)27/h1-4,6,8-10,12,17,21,26H,5,7,11,13-16H2,(H,24,28)/t17-,21-/m1/s1.
What are the key properties of (2R)-N-[(2R)-2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide?
(2R)-N-[(2R)-2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide has a molecular weight of 381.48 g/mol, XLogP of 2.10, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(2R)-2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide is sourced from PubChem (CID 97014692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).