N-[[(2S,5R)-5-[2-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-2-oxoethyl]-1-methylpyrrolidin-2-yl]methyl]propanamide

C21H32N4O3 — CID 171388121

IUPACN-[[(2S,5R)-5-[2-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-2-oxoethyl]-1-methylpyrrolidin-2-yl]methyl]propanamide
SMILESCCC(=O)NC[C@@H]1CC[C@H](CC(=O)N2CCC(O)(c3ccccn3)CC2)N1C
InChIInChI=1S/C21H32N4O3/c1-3-19(26)23-15-17-8-7-16(24(17)2)14-20(27)25-12-9-21(28,10-13-25)18-6-4-5-11-22-18/h4-6,11,16-17,28H,3,7-10,12-15H2,1-2H3,(H,23,26)/t16-,17+/m1/s1
InChIKeySSRVZARVFSXQSQ-SJORKVTESA-N
MW388.51 g/mol
LogP1.27
Rot. Bonds6

About N-[[(2S,5R)-5-[2-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-2-oxoethyl]-1-methylpyrrolidin-2-yl]methyl]propanamide

N-[[(2S,5R)-5-[2-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-2-oxoethyl]-1-methylpyrrolidin-2-yl]methyl]propanamide (PubChem CID 171388121) has the molecular formula C21H32N4O3 and a molecular weight of 388.51 g/mol. Its IUPAC name is N-[[(2S,5R)-5-[2-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-2-oxoethyl]-1-methylpyrrolidin-2-yl]methyl]propanamide.

Molecular Properties

Compound NameN-[[(2S,5R)-5-[2-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-2-oxoethyl]-1-methylpyrrolidin-2-yl]methyl]propanamide
PubChem CID171388121
Molecular FormulaC21H32N4O3
Molecular Weight388.51 g/mol
Exact Mass388.25
IUPAC NameN-[[(2S,5R)-5-[2-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-2-oxoethyl]-1-methylpyrrolidin-2-yl]methyl]propanamide
SMILESCCC(=O)NC[C@@H]1CC[C@H](CC(=O)N2CCC(O)(c3ccccn3)CC2)N1C
InChIInChI=1S/C21H32N4O3/c1-3-19(26)23-15-17-8-7-16(24(17)2)14-20(27)25-12-9-21(28,10-13-25)18-6-4-5-11-22-18/h4-6,11,16-17,28H,3,7-10,12-15H2,1-2H3,(H,23,26)/t16-,17+/m1/s1
InChIKeySSRVZARVFSXQSQ-SJORKVTESA-N
XLogP1.27
TPSA85.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[[(2S,5R)-5-[2-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-2-oxoethyl]-1-methylpyrrolidin-2-yl]methyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[(2S,5R)-5-[2-(4,4-difluoropiperidin-1-yl)-2-oxoethyl]-1-methylpyrrolidin-2-yl]methyl]-2-pyridin-2-ylacetamide
CID 171386796
3-[2-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-2-oxoethyl]-4-(2-methylpropyl)piperazin-2-one
CID 45227876
2-(4-ethoxyphenyl)-1-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)ethanone
CID 16668135
1-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-2,2-dimethylpropan-1-one
CID 89459236
(E)-N-[[(2S,5R)-1-methyl-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]-3-phenylprop-2-enamide
CID 165426080
formic acid;N-[[(2S,5R)-1-methyl-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]-4-phenylbutanamide
CID 171712151
2-ethoxy-N-[[(2S,5R)-1-methyl-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]benzamide
CID 166620853
N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]propanamide
CID 47411908
N-[[(2R,5S)-1-methyl-5-[2-[4-(3-methyl-4-pyridinyl)piperazin-1-yl]-2-oxoethyl]pyrrolidin-2-yl]methyl]acetamide
CID 166614963
formic acid;N-[[(2R,5S)-1-methyl-5-[2-[4-(2-methylphenyl)piperazin-1-yl]-2-oxoethyl]pyrrolidin-2-yl]methyl]acetamide
CID 171709600
2-(2,4-dichlorophenyl)-1-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)ethanone
CID 16674967
2-[(1S,5S)-3-hydroxy-3-pyridin-2-yl-8-azabicyclo[3.2.1]octan-8-yl]-N-propan-2-ylacetamide
CID 98066429

Frequently Asked Questions

What is the IUPAC name of N-[[(2S,5R)-5-[2-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-2-oxoethyl]-1-methylpyrrolidin-2-yl]methyl]propanamide?
The IUPAC name of N-[[(2S,5R)-5-[2-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-2-oxoethyl]-1-methylpyrrolidin-2-yl]methyl]propanamide (CID 171388121) is N-[[(2S,5R)-5-[2-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-2-oxoethyl]-1-methylpyrrolidin-2-yl]methyl]propanamide.
What is the SMILES notation for N-[[(2S,5R)-5-[2-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-2-oxoethyl]-1-methylpyrrolidin-2-yl]methyl]propanamide?
The canonical SMILES for N-[[(2S,5R)-5-[2-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-2-oxoethyl]-1-methylpyrrolidin-2-yl]methyl]propanamide is CCC(=O)NC[C@@H]1CC[C@H](CC(=O)N2CCC(O)(c3ccccn3)CC2)N1C.
What is the InChIKey of N-[[(2S,5R)-5-[2-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-2-oxoethyl]-1-methylpyrrolidin-2-yl]methyl]propanamide?
The InChIKey is SSRVZARVFSXQSQ-SJORKVTESA-N. The full InChI is InChI=1S/C21H32N4O3/c1-3-19(26)23-15-17-8-7-16(24(17)2)14-20(27)25-12-9-21(28,10-13-25)18-6-4-5-11-22-18/h4-6,11,16-17,28H,3,7-10,12-15H2,1-2H3,(H,23,26)/t16-,17+/m1/s1.
What are the key properties of N-[[(2S,5R)-5-[2-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-2-oxoethyl]-1-methylpyrrolidin-2-yl]methyl]propanamide?
N-[[(2S,5R)-5-[2-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-2-oxoethyl]-1-methylpyrrolidin-2-yl]methyl]propanamide has a molecular weight of 388.51 g/mol, XLogP of 1.27, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S,5R)-5-[2-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-2-oxoethyl]-1-methylpyrrolidin-2-yl]methyl]propanamide is sourced from PubChem (CID 171388121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).