2-[(2R,4R)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]-1-piperidin-1-ylethanone

C18H26N2O3 — CID 100736817

IUPAC2-[(2R,4R)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]-1-piperidin-1-ylethanone
SMILESCOc1cccc([C@H]2C[C@@H](O)CN2CC(=O)N2CCCCC2)c1
InChIInChI=1S/C18H26N2O3/c1-23-16-7-5-6-14(10-16)17-11-15(21)12-20(17)13-18(22)19-8-3-2-4-9-19/h5-7,10,15,17,21H,2-4,8-9,11-13H2,1H3/t15-,17-/m1/s1
InChIKeyCFKGPJVWHIPVLQ-NVXWUHKLSA-N
MW318.42 g/mol
LogP1.82
Rot. Bonds4

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

2-[(2R,4R)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]-1-piperidin-1-ylethanone (PubChem CID 100736817) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is 2-[(2R,4R)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-[(2R,4R)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]-1-piperidin-1-ylethanone
PubChem CID100736817
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Name2-[(2R,4R)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]-1-piperidin-1-ylethanone
SMILESCOc1cccc([C@H]2C[C@@H](O)CN2CC(=O)N2CCCCC2)c1
InChIInChI=1S/C18H26N2O3/c1-23-16-7-5-6-14(10-16)17-11-15(21)12-20(17)13-18(22)19-8-3-2-4-9-19/h5-7,10,15,17,21H,2-4,8-9,11-13H2,1H3/t15-,17-/m1/s1
InChIKeyCFKGPJVWHIPVLQ-NVXWUHKLSA-N
XLogP1.82
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 ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(azetidin-1-yl)-2-[4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]ethanone
CID 128965750
N-cyclopropyl-2-[(2S,4S)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]acetamide
CID 129481337
1-(azetidin-1-yl)-2-[(2R,4S)-4-hydroxy-2-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]ethanone
CID 129471274
4-[[4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]methyl]benzoic acid
CID 122033957
1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-2-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]ethanone
CID 100849850
methyl 1-[2-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]acetyl]piperidine-4-carboxylate
CID 51470159
(3R,5S)-1-(2-ethoxyethyl)-5-(3-methoxyphenyl)pyrrolidin-3-ol
CID 129481356
(3R,5S)-1-[[4-(hydroxymethyl)phenyl]methyl]-5-(3-methoxyphenyl)pyrrolidin-3-ol
CID 100737617
N-ethyl-3-[(2S,4R)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]-N-methylpropanamide
CID 129480913
(3R,5S)-1-[(1,1-dioxothian-4-yl)methyl]-5-(3-methoxyphenyl)pyrrolidin-3-ol
CID 129346555
(3R,5R)-1-[(1,1-dioxothian-4-yl)methyl]-5-(3-methoxyphenyl)pyrrolidin-3-ol
CID 129346553
2-[(2R,4R)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]-N-(pyridin-3-ylmethyl)acetamide
CID 100736548

Frequently Asked Questions

What is the IUPAC name of 2-[(2R,4R)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]-1-piperidin-1-ylethanone?
The IUPAC name of 2-[(2R,4R)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]-1-piperidin-1-ylethanone (CID 100736817) is 2-[(2R,4R)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-[(2R,4R)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]-1-piperidin-1-ylethanone?
The canonical SMILES for 2-[(2R,4R)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]-1-piperidin-1-ylethanone is COc1cccc([C@H]2C[C@@H](O)CN2CC(=O)N2CCCCC2)c1.
What is the InChIKey of 2-[(2R,4R)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]-1-piperidin-1-ylethanone?
The InChIKey is CFKGPJVWHIPVLQ-NVXWUHKLSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-23-16-7-5-6-14(10-16)17-11-15(21)12-20(17)13-18(22)19-8-3-2-4-9-19/h5-7,10,15,17,21H,2-4,8-9,11-13H2,1H3/t15-,17-/m1/s1.
What are the key properties of 2-[(2R,4R)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]-1-piperidin-1-ylethanone?
2-[(2R,4R)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]-1-piperidin-1-ylethanone has a molecular weight of 318.42 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,4R)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]-1-piperidin-1-ylethanone is sourced from PubChem (CID 100736817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).