(3R)-3-hydroxy-1-(3-phenylpropyl)-3-[(piperidin-4-ylmethylamino)methyl]piperidin-2-one

C21H33N3O2 — CID 95194092

IUPAC(3R)-3-hydroxy-1-(3-phenylpropyl)-3-[(piperidin-4-ylmethylamino)methyl]piperidin-2-one
SMILESO=C1N(CCCc2ccccc2)CCC[C@@]1(O)CNCC1CCNCC1
InChIInChI=1S/C21H33N3O2/c25-20-21(26,17-23-16-19-9-12-22-13-10-19)11-5-15-24(20)14-4-8-18-6-2-1-3-7-18/h1-3,6-7,19,22-23,26H,4-5,8-17H2/t21-/m1/s1
InChIKeyIIPXGTJORXDALD-OAQYLSRUSA-N
MW359.51 g/mol
LogP1.56
Rot. Bonds8

About (3R)-3-hydroxy-1-(3-phenylpropyl)-3-[(piperidin-4-ylmethylamino)methyl]piperidin-2-one

(3R)-3-hydroxy-1-(3-phenylpropyl)-3-[(piperidin-4-ylmethylamino)methyl]piperidin-2-one (PubChem CID 95194092) has the molecular formula C21H33N3O2 and a molecular weight of 359.51 g/mol. Its IUPAC name is (3R)-3-hydroxy-1-(3-phenylpropyl)-3-[(piperidin-4-ylmethylamino)methyl]piperidin-2-one.

Molecular Properties

Compound Name(3R)-3-hydroxy-1-(3-phenylpropyl)-3-[(piperidin-4-ylmethylamino)methyl]piperidin-2-one
PubChem CID95194092
Molecular FormulaC21H33N3O2
Molecular Weight359.51 g/mol
Exact Mass359.26
IUPAC Name(3R)-3-hydroxy-1-(3-phenylpropyl)-3-[(piperidin-4-ylmethylamino)methyl]piperidin-2-one
SMILESO=C1N(CCCc2ccccc2)CCC[C@@]1(O)CNCC1CCNCC1
InChIInChI=1S/C21H33N3O2/c25-20-21(26,17-23-16-19-9-12-22-13-10-19)11-5-15-24(20)14-4-8-18-6-2-1-3-7-18/h1-3,6-7,19,22-23,26H,4-5,8-17H2/t21-/m1/s1
InChIKeyIIPXGTJORXDALD-OAQYLSRUSA-N
XLogP1.56
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.51
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-3-[(2,2-difluoroethylamino)methyl]-3-hydroxy-1-(3-phenylpropyl)piperidin-2-one
CID 95188134
(3R)-3-hydroxy-3-[[(2-methylphenyl)methylamino]methyl]-1-(3-phenylpropyl)piperidin-2-one
CID 95502535
3-hydroxy-3-[[(2-oxo-2-piperazin-1-ylethyl)amino]methyl]-1-(2-phenylethyl)piperidin-2-one;dihydrochloride
CID 154891709
(3S)-3-hydroxy-3-[[(5-methyl-1H-pyrazol-3-yl)methylamino]methyl]-1-(3-phenylpropyl)piperidin-2-one
CID 95205613
4-[[(3R)-3-hydroxy-2-oxo-1-(3-phenylpropyl)piperidin-3-yl]methyl]piperazin-2-one
CID 95218993
3-hydroxy-3-[[(5-methylthiophen-2-yl)methylamino]methyl]-1-(3-phenylpropyl)piperidin-2-one
CID 56714160
(3R)-3-hydroxy-3-[[(5-methylthiophen-2-yl)methylamino]methyl]-1-(3-phenylpropyl)piperidin-2-one
CID 95207378
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
3-hydroxy-1-(3-phenylpropyl)-3-[(pyrazolo[1,5-a]pyridin-3-ylmethylamino)methyl]piperidin-2-one
CID 56710296
3-hydroxy-3-[(imidazo[1,2-a]pyridin-3-ylmethylamino)methyl]-1-(3-phenylpropyl)piperidin-2-one
CID 56722616

Frequently Asked Questions

What is the IUPAC name of (3R)-3-hydroxy-1-(3-phenylpropyl)-3-[(piperidin-4-ylmethylamino)methyl]piperidin-2-one?
The IUPAC name of (3R)-3-hydroxy-1-(3-phenylpropyl)-3-[(piperidin-4-ylmethylamino)methyl]piperidin-2-one (CID 95194092) is (3R)-3-hydroxy-1-(3-phenylpropyl)-3-[(piperidin-4-ylmethylamino)methyl]piperidin-2-one.
What is the SMILES notation for (3R)-3-hydroxy-1-(3-phenylpropyl)-3-[(piperidin-4-ylmethylamino)methyl]piperidin-2-one?
The canonical SMILES for (3R)-3-hydroxy-1-(3-phenylpropyl)-3-[(piperidin-4-ylmethylamino)methyl]piperidin-2-one is O=C1N(CCCc2ccccc2)CCC[C@@]1(O)CNCC1CCNCC1.
What is the InChIKey of (3R)-3-hydroxy-1-(3-phenylpropyl)-3-[(piperidin-4-ylmethylamino)methyl]piperidin-2-one?
The InChIKey is IIPXGTJORXDALD-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H33N3O2/c25-20-21(26,17-23-16-19-9-12-22-13-10-19)11-5-15-24(20)14-4-8-18-6-2-1-3-7-18/h1-3,6-7,19,22-23,26H,4-5,8-17H2/t21-/m1/s1.
What are the key properties of (3R)-3-hydroxy-1-(3-phenylpropyl)-3-[(piperidin-4-ylmethylamino)methyl]piperidin-2-one?
(3R)-3-hydroxy-1-(3-phenylpropyl)-3-[(piperidin-4-ylmethylamino)methyl]piperidin-2-one has a molecular weight of 359.51 g/mol, XLogP of 1.56, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-hydroxy-1-(3-phenylpropyl)-3-[(piperidin-4-ylmethylamino)methyl]piperidin-2-one is sourced from PubChem (CID 95194092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).