2-[(3R,4R)-3-hydroxy-4-methoxypyrrolidin-1-yl]-2-phenyl-1-piperidin-1-ylethanone

C18H26N2O3 — CID 146130507

IUPAC2-[(3R,4R)-3-hydroxy-4-methoxypyrrolidin-1-yl]-2-phenyl-1-piperidin-1-ylethanone
SMILESCO[C@@H]1CN(C(C(=O)N2CCCCC2)c2ccccc2)C[C@H]1O
InChIInChI=1S/C18H26N2O3/c1-23-16-13-20(12-15(16)21)17(14-8-4-2-5-9-14)18(22)19-10-6-3-7-11-19/h2,4-5,8-9,15-17,21H,3,6-7,10-13H2,1H3/t15-,16-,17?/m1/s1
InChIKeyYETHVHQXDOJQEA-YNPPLXCJSA-N
MW318.42 g/mol
LogP1.43
Rot. Bonds4

About 2-[(3R,4R)-3-hydroxy-4-methoxypyrrolidin-1-yl]-2-phenyl-1-piperidin-1-ylethanone

2-[(3R,4R)-3-hydroxy-4-methoxypyrrolidin-1-yl]-2-phenyl-1-piperidin-1-ylethanone (PubChem CID 146130507) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is 2-[(3R,4R)-3-hydroxy-4-methoxypyrrolidin-1-yl]-2-phenyl-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-[(3R,4R)-3-hydroxy-4-methoxypyrrolidin-1-yl]-2-phenyl-1-piperidin-1-ylethanone
PubChem CID146130507
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Name2-[(3R,4R)-3-hydroxy-4-methoxypyrrolidin-1-yl]-2-phenyl-1-piperidin-1-ylethanone
SMILESCO[C@@H]1CN(C(C(=O)N2CCCCC2)c2ccccc2)C[C@H]1O
InChIInChI=1S/C18H26N2O3/c1-23-16-13-20(12-15(16)21)17(14-8-4-2-5-9-14)18(22)19-10-6-3-7-11-19/h2,4-5,8-9,15-17,21H,3,6-7,10-13H2,1H3/t15-,16-,17?/m1/s1
InChIKeyYETHVHQXDOJQEA-YNPPLXCJSA-N
XLogP1.43
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-phenyl-1-piperidin-1-yl-2-pyrrolidin-1-ylethanone
CID 47010733
(3S,4S)-4-methyl-1-(2-oxo-1-phenyl-2-piperidin-1-ylethyl)pyrrolidine-3-carboxylic acid
CID 122120914
2-(4-hydroxypiperidin-1-yl)-2-phenyl-1-piperidin-1-ylethanone
CID 43013126
2-[3-(methylamino)piperidin-1-yl]-2-phenyl-1-piperidin-1-ylethanone
CID 119918296
2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenyl-1-pyrrolidin-1-ylethanone
CID 46614027
tert-butyl 4-(2-oxo-1-phenyl-2-piperidin-1-ylethyl)piperazine-1-carboxylate
CID 60587742
(2S)-2-(4-benzoylpiperazin-1-yl)-2-phenyl-1-piperidin-1-ylethanone
CID 8597142
2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-phenyl-1-pyrrolidin-1-ylethanone
CID 17477999
2-methoxy-2-phenyl-1-piperidin-1-ylethanone
CID 60775756
1-[2-(3-methoxypiperidin-1-yl)-2-oxo-1-phenylethyl]piperidin-2-one
CID 75420204
2-phenyl-2-piperidin-1-yl-1-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanone
CID 46978264
2-(4-amino-3,3-dimethylpiperidin-1-yl)-2-phenyl-1-piperidin-1-ylethanone;hydrochloride
CID 120774986

Frequently Asked Questions

What is the IUPAC name of 2-[(3R,4R)-3-hydroxy-4-methoxypyrrolidin-1-yl]-2-phenyl-1-piperidin-1-ylethanone?
The IUPAC name of 2-[(3R,4R)-3-hydroxy-4-methoxypyrrolidin-1-yl]-2-phenyl-1-piperidin-1-ylethanone (CID 146130507) is 2-[(3R,4R)-3-hydroxy-4-methoxypyrrolidin-1-yl]-2-phenyl-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-[(3R,4R)-3-hydroxy-4-methoxypyrrolidin-1-yl]-2-phenyl-1-piperidin-1-ylethanone?
The canonical SMILES for 2-[(3R,4R)-3-hydroxy-4-methoxypyrrolidin-1-yl]-2-phenyl-1-piperidin-1-ylethanone is CO[C@@H]1CN(C(C(=O)N2CCCCC2)c2ccccc2)C[C@H]1O.
What is the InChIKey of 2-[(3R,4R)-3-hydroxy-4-methoxypyrrolidin-1-yl]-2-phenyl-1-piperidin-1-ylethanone?
The InChIKey is YETHVHQXDOJQEA-YNPPLXCJSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-23-16-13-20(12-15(16)21)17(14-8-4-2-5-9-14)18(22)19-10-6-3-7-11-19/h2,4-5,8-9,15-17,21H,3,6-7,10-13H2,1H3/t15-,16-,17?/m1/s1.
What are the key properties of 2-[(3R,4R)-3-hydroxy-4-methoxypyrrolidin-1-yl]-2-phenyl-1-piperidin-1-ylethanone?
2-[(3R,4R)-3-hydroxy-4-methoxypyrrolidin-1-yl]-2-phenyl-1-piperidin-1-ylethanone has a molecular weight of 318.42 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R,4R)-3-hydroxy-4-methoxypyrrolidin-1-yl]-2-phenyl-1-piperidin-1-ylethanone is sourced from PubChem (CID 146130507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).