(3S)-1-(2,2-dimethylpropyl)-3-hydroxy-3-[[(3-methylphenyl)methylamino]methyl]piperidin-2-one

C19H30N2O2 — CID 42310209

IUPAC(3S)-1-(2,2-dimethylpropyl)-3-hydroxy-3-[[(3-methylphenyl)methylamino]methyl]piperidin-2-one
SMILESCc1cccc(CNC[C@@]2(O)CCCN(CC(C)(C)C)C2=O)c1
InChIInChI=1S/C19H30N2O2/c1-15-7-5-8-16(11-15)12-20-13-19(23)9-6-10-21(17(19)22)14-18(2,3)4/h5,7-8,11,20,23H,6,9-10,12-14H2,1-4H3/t19-/m0/s1
InChIKeyLZVFYHACNQXOAM-IBGZPJMESA-N
MW318.46 g/mol
LogP2.48
Rot. Bonds5

About (3S)-1-(2,2-dimethylpropyl)-3-hydroxy-3-[[(3-methylphenyl)methylamino]methyl]piperidin-2-one

(3S)-1-(2,2-dimethylpropyl)-3-hydroxy-3-[[(3-methylphenyl)methylamino]methyl]piperidin-2-one (PubChem CID 42310209) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is (3S)-1-(2,2-dimethylpropyl)-3-hydroxy-3-[[(3-methylphenyl)methylamino]methyl]piperidin-2-one.

Molecular Properties

Compound Name(3S)-1-(2,2-dimethylpropyl)-3-hydroxy-3-[[(3-methylphenyl)methylamino]methyl]piperidin-2-one
PubChem CID42310209
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC Name(3S)-1-(2,2-dimethylpropyl)-3-hydroxy-3-[[(3-methylphenyl)methylamino]methyl]piperidin-2-one
SMILESCc1cccc(CNC[C@@]2(O)CCCN(CC(C)(C)C)C2=O)c1
InChIInChI=1S/C19H30N2O2/c1-15-7-5-8-16(11-15)12-20-13-19(23)9-6-10-21(17(19)22)14-18(2,3)4/h5,7-8,11,20,23H,6,9-10,12-14H2,1-4H3/t19-/m0/s1
InChIKeyLZVFYHACNQXOAM-IBGZPJMESA-N
XLogP2.48
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,2-dimethylpropyl)-3-hydroxy-3-[[(6-methyl-2-pyridinyl)methylamino]methyl]piperidin-2-one
CID 45240042
1-(2,2-dimethylpropyl)-3-hydroxy-3-[[(2-methyl-1H-indol-5-yl)methylamino]methyl]piperidin-2-one
CID 45196056
(3S)-3-hydroxy-1-[(3-methylphenyl)methyl]-3-[(pyridin-3-ylmethylamino)methyl]piperidin-2-one
CID 42193572
3-hydroxy-1-[(3-methylphenyl)methyl]-3-[[(6-methyl-2-pyridinyl)methylamino]methyl]piperidin-2-one
CID 45251257
(3R)-3-hydroxy-3-[[(5-methylfuran-2-yl)methylamino]methyl]-1-[(3-methylphenyl)methyl]piperidin-2-one
CID 42122047
(3R)-3-hydroxy-1-[(3-methylphenyl)methyl]-3-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]piperidin-2-one
CID 25377362
(3S)-3-[[(2,5-difluorophenyl)methylamino]methyl]-3-hydroxy-1-[(3-methylphenyl)methyl]piperidin-2-one
CID 42528175
(3S)-1-(2,2-dimethylpropyl)-3-hydroxy-3-[(1,2-oxazol-3-ylmethylamino)methyl]piperidin-2-one
CID 42527454
(3S)-1-(2,2-dimethylpropyl)-3-hydroxy-3-[[(5-methylpyrazin-2-yl)methylamino]methyl]piperidin-2-one
CID 26397556
(3S)-1-(2,2-dimethylpropyl)-3-hydroxy-3-[(2-methylpropylamino)methyl]piperidin-2-one
CID 42301524
3-[[(5-chlorothiophen-2-yl)methylamino]methyl]-1-(2,2-dimethylpropyl)-3-hydroxypiperidin-2-one
CID 45230575
2-[[3-hydroxy-1-[(3-methylphenyl)methyl]-2-oxopiperidin-3-yl]methylamino]-N-methylethanesulfonamide
CID 56746440

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(2,2-dimethylpropyl)-3-hydroxy-3-[[(3-methylphenyl)methylamino]methyl]piperidin-2-one?
The IUPAC name of (3S)-1-(2,2-dimethylpropyl)-3-hydroxy-3-[[(3-methylphenyl)methylamino]methyl]piperidin-2-one (CID 42310209) is (3S)-1-(2,2-dimethylpropyl)-3-hydroxy-3-[[(3-methylphenyl)methylamino]methyl]piperidin-2-one.
What is the SMILES notation for (3S)-1-(2,2-dimethylpropyl)-3-hydroxy-3-[[(3-methylphenyl)methylamino]methyl]piperidin-2-one?
The canonical SMILES for (3S)-1-(2,2-dimethylpropyl)-3-hydroxy-3-[[(3-methylphenyl)methylamino]methyl]piperidin-2-one is Cc1cccc(CNC[C@@]2(O)CCCN(CC(C)(C)C)C2=O)c1.
What is the InChIKey of (3S)-1-(2,2-dimethylpropyl)-3-hydroxy-3-[[(3-methylphenyl)methylamino]methyl]piperidin-2-one?
The InChIKey is LZVFYHACNQXOAM-IBGZPJMESA-N. The full InChI is InChI=1S/C19H30N2O2/c1-15-7-5-8-16(11-15)12-20-13-19(23)9-6-10-21(17(19)22)14-18(2,3)4/h5,7-8,11,20,23H,6,9-10,12-14H2,1-4H3/t19-/m0/s1.
What are the key properties of (3S)-1-(2,2-dimethylpropyl)-3-hydroxy-3-[[(3-methylphenyl)methylamino]methyl]piperidin-2-one?
(3S)-1-(2,2-dimethylpropyl)-3-hydroxy-3-[[(3-methylphenyl)methylamino]methyl]piperidin-2-one has a molecular weight of 318.46 g/mol, XLogP of 2.48, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(2,2-dimethylpropyl)-3-hydroxy-3-[[(3-methylphenyl)methylamino]methyl]piperidin-2-one is sourced from PubChem (CID 42310209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).