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

C16H22N2O2 — CID 42342171

IUPAC(3R)-3-hydroxy-1-methyl-3-[[(1-phenylcyclopropyl)amino]methyl]piperidin-2-one
SMILESCN1CCC[C@@](O)(CNC2(c3ccccc3)CC2)C1=O
InChIInChI=1S/C16H22N2O2/c1-18-11-5-8-16(20,14(18)19)12-17-15(9-10-15)13-6-3-2-4-7-13/h2-4,6-7,17,20H,5,8-12H2,1H3/t16-/m1/s1
InChIKeyLCCRQFVYHVPDCK-MRXNPFEDSA-N
MW274.36 g/mol
LogP1.25
Rot. Bonds4

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

(3R)-3-hydroxy-1-methyl-3-[[(1-phenylcyclopropyl)amino]methyl]piperidin-2-one (PubChem CID 42342171) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is (3R)-3-hydroxy-1-methyl-3-[[(1-phenylcyclopropyl)amino]methyl]piperidin-2-one.

Molecular Properties

Compound Name(3R)-3-hydroxy-1-methyl-3-[[(1-phenylcyclopropyl)amino]methyl]piperidin-2-one
PubChem CID42342171
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name(3R)-3-hydroxy-1-methyl-3-[[(1-phenylcyclopropyl)amino]methyl]piperidin-2-one
SMILESCN1CCC[C@@](O)(CNC2(c3ccccc3)CC2)C1=O
InChIInChI=1S/C16H22N2O2/c1-18-11-5-8-16(20,14(18)19)12-17-15(9-10-15)13-6-3-2-4-7-13/h2-4,6-7,17,20H,5,8-12H2,1H3/t16-/m1/s1
InChIKeyLCCRQFVYHVPDCK-MRXNPFEDSA-N
XLogP1.25
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(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-[[(1-phenylcyclopropyl)amino]methyl]piperidin-2-one
CID 42457858
3-hydroxy-1-methyl-3-[[(2-phenylphenyl)methylamino]methyl]piperidin-2-one
CID 45230079
3-amino-1-methyl-3-phenylpiperidin-2-one
CID 45096918
(3R)-3-[(2-cyclooctylethylamino)methyl]-3-hydroxy-1-methylpiperidin-2-one
CID 42384703
1,3-dimethyl-5-[[(1-phenylcyclopropyl)amino]methyl]benzimidazol-2-one
CID 46981978
3-hydroxy-3-[(2-hydroxyethylamino)methyl]-1-(2-phenylethyl)piperidin-2-one
CID 56701415
3-[(cyclopentylamino)methyl]-3-hydroxy-1-(2-phenylethyl)piperidin-2-one
CID 45220478
3-hydroxy-1-(2-phenylethyl)-3-[(2-pyrrolidin-1-ylethylamino)methyl]piperidin-2-one
CID 56711538
(3S)-3-[[(1,3-dimethylpyrazol-4-yl)methylamino]methyl]-3-hydroxy-1-(2-phenylethyl)piperidin-2-one
CID 95200198
3-benzyl-3-ethyl-1-methylpiperidin-2-one
CID 23448180
1-methyl-3-phenyl-3-(trifluoromethyl)pyrrolidin-2-one
CID 132521429

Frequently Asked Questions

What is the IUPAC name of (3R)-3-hydroxy-1-methyl-3-[[(1-phenylcyclopropyl)amino]methyl]piperidin-2-one?
The IUPAC name of (3R)-3-hydroxy-1-methyl-3-[[(1-phenylcyclopropyl)amino]methyl]piperidin-2-one (CID 42342171) is (3R)-3-hydroxy-1-methyl-3-[[(1-phenylcyclopropyl)amino]methyl]piperidin-2-one.
What is the SMILES notation for (3R)-3-hydroxy-1-methyl-3-[[(1-phenylcyclopropyl)amino]methyl]piperidin-2-one?
The canonical SMILES for (3R)-3-hydroxy-1-methyl-3-[[(1-phenylcyclopropyl)amino]methyl]piperidin-2-one is CN1CCC[C@@](O)(CNC2(c3ccccc3)CC2)C1=O.
What is the InChIKey of (3R)-3-hydroxy-1-methyl-3-[[(1-phenylcyclopropyl)amino]methyl]piperidin-2-one?
The InChIKey is LCCRQFVYHVPDCK-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-18-11-5-8-16(20,14(18)19)12-17-15(9-10-15)13-6-3-2-4-7-13/h2-4,6-7,17,20H,5,8-12H2,1H3/t16-/m1/s1.
What are the key properties of (3R)-3-hydroxy-1-methyl-3-[[(1-phenylcyclopropyl)amino]methyl]piperidin-2-one?
(3R)-3-hydroxy-1-methyl-3-[[(1-phenylcyclopropyl)amino]methyl]piperidin-2-one has a molecular weight of 274.36 g/mol, XLogP of 1.25, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-hydroxy-1-methyl-3-[[(1-phenylcyclopropyl)amino]methyl]piperidin-2-one is sourced from PubChem (CID 42342171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).