2-[[(3S)-3-hydroxy-2-oxo-1-[(4-propan-2-ylphenyl)methyl]piperidin-3-yl]methylamino]-N-methylacetamide

C19H29N3O3 — CID 95225883

IUPAC2-[[(3S)-3-hydroxy-2-oxo-1-[(4-propan-2-ylphenyl)methyl]piperidin-3-yl]methylamino]-N-methylacetamide
SMILESCNC(=O)CNC[C@@]1(O)CCCN(Cc2ccc(C(C)C)cc2)C1=O
InChIInChI=1S/C19H29N3O3/c1-14(2)16-7-5-15(6-8-16)12-22-10-4-9-19(25,18(22)24)13-21-11-17(23)20-3/h5-8,14,21,25H,4,9-13H2,1-3H3,(H,20,23)/t19-/m0/s1
InChIKeyWKSMABUKIRRGIY-IBGZPJMESA-N
MW347.46 g/mol
LogP1.00
Rot. Bonds7

About 2-[[(3S)-3-hydroxy-2-oxo-1-[(4-propan-2-ylphenyl)methyl]piperidin-3-yl]methylamino]-N-methylacetamide

2-[[(3S)-3-hydroxy-2-oxo-1-[(4-propan-2-ylphenyl)methyl]piperidin-3-yl]methylamino]-N-methylacetamide (PubChem CID 95225883) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is 2-[[(3S)-3-hydroxy-2-oxo-1-[(4-propan-2-ylphenyl)methyl]piperidin-3-yl]methylamino]-N-methylacetamide.

Molecular Properties

Compound Name2-[[(3S)-3-hydroxy-2-oxo-1-[(4-propan-2-ylphenyl)methyl]piperidin-3-yl]methylamino]-N-methylacetamide
PubChem CID95225883
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC Name2-[[(3S)-3-hydroxy-2-oxo-1-[(4-propan-2-ylphenyl)methyl]piperidin-3-yl]methylamino]-N-methylacetamide
SMILESCNC(=O)CNC[C@@]1(O)CCCN(Cc2ccc(C(C)C)cc2)C1=O
InChIInChI=1S/C19H29N3O3/c1-14(2)16-7-5-15(6-8-16)12-22-10-4-9-19(25,18(22)24)13-21-11-17(23)20-3/h5-8,14,21,25H,4,9-13H2,1-3H3,(H,20,23)/t19-/m0/s1
InChIKeyWKSMABUKIRRGIY-IBGZPJMESA-N
XLogP1.00
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 51.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[[(3S)-3-hydroxy-2-oxo-1-[(4-propan-2-ylphenyl)methyl]piperidin-3-yl]methylamino]-N-methylacetamide 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-tert-butyl-2-[[3-hydroxy-2-oxo-1-[(4-propan-2-ylphenyl)methyl]piperidin-3-yl]methylamino]acetamide
CID 56746288
3-hydroxy-3-[[2-(methylamino)ethylamino]methyl]-1-[(4-propan-2-ylphenyl)methyl]piperidin-2-one
CID 56759993
(3S)-3-hydroxy-3-[(2-hydroxyethylamino)methyl]-1-[(4-propan-2-ylphenyl)methyl]piperidin-2-one
CID 95217002
(3R)-3-hydroxy-3-[(propan-2-ylamino)methyl]-1-[(4-propan-2-ylphenyl)methyl]piperidin-2-one
CID 42595055
3-[[(3R)-3-hydroxy-2-oxo-1-[(4-propan-2-ylphenyl)methyl]piperidin-3-yl]methylamino]propanamide
CID 95394237
(3S)-3-[(furan-3-ylmethylamino)methyl]-3-hydroxy-1-[(4-propan-2-ylphenyl)methyl]piperidin-2-one
CID 95215168
(3S)-3-[(tert-butylamino)methyl]-3-hydroxy-1-[(4-propan-2-ylphenyl)methyl]piperidin-2-one
CID 42596036
(3S)-3-hydroxy-3-[[2-(4-hydroxyphenyl)ethylamino]methyl]-1-[(4-propan-2-ylphenyl)methyl]piperidin-2-one
CID 95200235
3-[(cyclohexylamino)methyl]-3-hydroxy-1-[(4-propan-2-ylphenyl)methyl]piperidin-2-one
CID 56743137
3-[[(1,3-dihydroxy-2-methylpropan-2-yl)amino]methyl]-3-hydroxy-1-[(4-propan-2-ylphenyl)methyl]piperidin-2-one
CID 56753939
(3S)-3-[[(1,3-dihydroxy-2-methylpropan-2-yl)amino]methyl]-3-hydroxy-1-[(4-propan-2-ylphenyl)methyl]piperidin-2-one
CID 95216214
3-hydroxy-3-[[2-(3-methylpyrazol-1-yl)ethylamino]methyl]-1-[(4-propan-2-ylphenyl)methyl]piperidin-2-one
CID 56752244

Frequently Asked Questions

What is the IUPAC name of 2-[[(3S)-3-hydroxy-2-oxo-1-[(4-propan-2-ylphenyl)methyl]piperidin-3-yl]methylamino]-N-methylacetamide?
The IUPAC name of 2-[[(3S)-3-hydroxy-2-oxo-1-[(4-propan-2-ylphenyl)methyl]piperidin-3-yl]methylamino]-N-methylacetamide (CID 95225883) is 2-[[(3S)-3-hydroxy-2-oxo-1-[(4-propan-2-ylphenyl)methyl]piperidin-3-yl]methylamino]-N-methylacetamide.
What is the SMILES notation for 2-[[(3S)-3-hydroxy-2-oxo-1-[(4-propan-2-ylphenyl)methyl]piperidin-3-yl]methylamino]-N-methylacetamide?
The canonical SMILES for 2-[[(3S)-3-hydroxy-2-oxo-1-[(4-propan-2-ylphenyl)methyl]piperidin-3-yl]methylamino]-N-methylacetamide is CNC(=O)CNC[C@@]1(O)CCCN(Cc2ccc(C(C)C)cc2)C1=O.
What is the InChIKey of 2-[[(3S)-3-hydroxy-2-oxo-1-[(4-propan-2-ylphenyl)methyl]piperidin-3-yl]methylamino]-N-methylacetamide?
The InChIKey is WKSMABUKIRRGIY-IBGZPJMESA-N. The full InChI is InChI=1S/C19H29N3O3/c1-14(2)16-7-5-15(6-8-16)12-22-10-4-9-19(25,18(22)24)13-21-11-17(23)20-3/h5-8,14,21,25H,4,9-13H2,1-3H3,(H,20,23)/t19-/m0/s1.
What are the key properties of 2-[[(3S)-3-hydroxy-2-oxo-1-[(4-propan-2-ylphenyl)methyl]piperidin-3-yl]methylamino]-N-methylacetamide?
2-[[(3S)-3-hydroxy-2-oxo-1-[(4-propan-2-ylphenyl)methyl]piperidin-3-yl]methylamino]-N-methylacetamide has a molecular weight of 347.46 g/mol, XLogP of 1.00, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3S)-3-hydroxy-2-oxo-1-[(4-propan-2-ylphenyl)methyl]piperidin-3-yl]methylamino]-N-methylacetamide is sourced from PubChem (CID 95225883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).