(3S)-3-hydroxy-1-[(3-methoxyphenyl)methyl]-3-[[(1-phenylcyclopropyl)amino]methyl]piperidin-2-one

C23H28N2O3 — CID 42457858

IUPAC(3S)-3-hydroxy-1-[(3-methoxyphenyl)methyl]-3-[[(1-phenylcyclopropyl)amino]methyl]piperidin-2-one
SMILESCOc1cccc(CN2CCC[C@](O)(CNC3(c4ccccc4)CC3)C2=O)c1
InChIInChI=1S/C23H28N2O3/c1-28-20-10-5-7-18(15-20)16-25-14-6-11-23(27,21(25)26)17-24-22(12-13-22)19-8-3-2-4-9-19/h2-5,7-10,15,24,27H,6,11-14,16-17H2,1H3/t23-/m0/s1
InChIKeyGSYGBRSITWAHDY-QHCPKHFHSA-N
MW380.49 g/mol
LogP2.83
Rot. Bonds7

About (3S)-3-hydroxy-1-[(3-methoxyphenyl)methyl]-3-[[(1-phenylcyclopropyl)amino]methyl]piperidin-2-one

(3S)-3-hydroxy-1-[(3-methoxyphenyl)methyl]-3-[[(1-phenylcyclopropyl)amino]methyl]piperidin-2-one (PubChem CID 42457858) has the molecular formula C23H28N2O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is (3S)-3-hydroxy-1-[(3-methoxyphenyl)methyl]-3-[[(1-phenylcyclopropyl)amino]methyl]piperidin-2-one.

Molecular Properties

Compound Name(3S)-3-hydroxy-1-[(3-methoxyphenyl)methyl]-3-[[(1-phenylcyclopropyl)amino]methyl]piperidin-2-one
PubChem CID42457858
Molecular FormulaC23H28N2O3
Molecular Weight380.49 g/mol
Exact Mass380.21
IUPAC Name(3S)-3-hydroxy-1-[(3-methoxyphenyl)methyl]-3-[[(1-phenylcyclopropyl)amino]methyl]piperidin-2-one
SMILESCOc1cccc(CN2CCC[C@](O)(CNC3(c4ccccc4)CC3)C2=O)c1
InChIInChI=1S/C23H28N2O3/c1-28-20-10-5-7-18(15-20)16-25-14-6-11-23(27,21(25)26)17-24-22(12-13-22)19-8-3-2-4-9-19/h2-5,7-10,15,24,27H,6,11-14,16-17H2,1H3/t23-/m0/s1
InChIKeyGSYGBRSITWAHDY-QHCPKHFHSA-N
XLogP2.83
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[(3S)-3-hydroxy-1-[(3-methoxyphenyl)methyl]-2-oxopiperidin-3-yl]methylamino]acetamide
CID 95231017
(3R)-3-[[ethyl(methyl)amino]methyl]-3-hydroxy-1-[(3-methoxyphenyl)methyl]piperidin-2-one
CID 42288084
(3S)-3-[[(2,5-dimethylphenyl)methylamino]methyl]-3-hydroxy-1-[(3-methoxyphenyl)methyl]piperidin-2-one
CID 95213454
(3R)-3-hydroxy-1-[(3-methoxyphenyl)methyl]-3-[(2-morpholin-4-ylethylamino)methyl]piperidin-2-one
CID 95217840
(3S)-1-[(2,3-difluorophenyl)methyl]-3-hydroxy-3-[[(1-phenylcyclopropyl)amino]methyl]piperidin-2-one
CID 42415145
(3S)-3-hydroxy-1-[(3-methoxyphenyl)methyl]-3-[(pyrazolo[1,5-a]pyridin-3-ylmethylamino)methyl]piperidin-2-one
CID 95199668
(3R)-3-hydroxy-1-methyl-3-[[(1-phenylcyclopropyl)amino]methyl]piperidin-2-one
CID 42342171
(3S)-3-hydroxy-1-[(3-methoxyphenyl)methyl]-3-[[2-(3-methylpyrazol-1-yl)ethylamino]methyl]piperidin-2-one
CID 95219563
3-hydroxy-1-[(3-methoxyphenyl)methyl]-3-[[2-(triazol-1-yl)ethylamino]methyl]piperidin-2-one
CID 56719287
3-hydroxy-1-[(3-methoxyphenyl)methyl]-3-[[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]methyl]piperidin-2-one
CID 56712551
(3S)-1-[(2-fluoro-5-methoxyphenyl)methyl]-3-hydroxy-3-[(2-phenylethylamino)methyl]piperidin-2-one
CID 95553831
(5S)-7-[(3-methoxyphenyl)methyl]-2-propanoyl-2,7-diazaspiro[4.5]decan-6-one
CID 42154935

Frequently Asked Questions

What is the IUPAC name of (3S)-3-hydroxy-1-[(3-methoxyphenyl)methyl]-3-[[(1-phenylcyclopropyl)amino]methyl]piperidin-2-one?
The IUPAC name of (3S)-3-hydroxy-1-[(3-methoxyphenyl)methyl]-3-[[(1-phenylcyclopropyl)amino]methyl]piperidin-2-one (CID 42457858) is (3S)-3-hydroxy-1-[(3-methoxyphenyl)methyl]-3-[[(1-phenylcyclopropyl)amino]methyl]piperidin-2-one.
What is the SMILES notation for (3S)-3-hydroxy-1-[(3-methoxyphenyl)methyl]-3-[[(1-phenylcyclopropyl)amino]methyl]piperidin-2-one?
The canonical SMILES for (3S)-3-hydroxy-1-[(3-methoxyphenyl)methyl]-3-[[(1-phenylcyclopropyl)amino]methyl]piperidin-2-one is COc1cccc(CN2CCC[C@](O)(CNC3(c4ccccc4)CC3)C2=O)c1.
What is the InChIKey of (3S)-3-hydroxy-1-[(3-methoxyphenyl)methyl]-3-[[(1-phenylcyclopropyl)amino]methyl]piperidin-2-one?
The InChIKey is GSYGBRSITWAHDY-QHCPKHFHSA-N. The full InChI is InChI=1S/C23H28N2O3/c1-28-20-10-5-7-18(15-20)16-25-14-6-11-23(27,21(25)26)17-24-22(12-13-22)19-8-3-2-4-9-19/h2-5,7-10,15,24,27H,6,11-14,16-17H2,1H3/t23-/m0/s1.
What are the key properties of (3S)-3-hydroxy-1-[(3-methoxyphenyl)methyl]-3-[[(1-phenylcyclopropyl)amino]methyl]piperidin-2-one?
(3S)-3-hydroxy-1-[(3-methoxyphenyl)methyl]-3-[[(1-phenylcyclopropyl)amino]methyl]piperidin-2-one has a molecular weight of 380.49 g/mol, XLogP of 2.83, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-hydroxy-1-[(3-methoxyphenyl)methyl]-3-[[(1-phenylcyclopropyl)amino]methyl]piperidin-2-one is sourced from PubChem (CID 42457858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).