(2R)-2-(2-hydroxyethyl)-N-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]piperidine-1-carboxamide

C18H25N3O3 — CID 7513267

IUPAC(2R)-2-(2-hydroxyethyl)-N-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]piperidine-1-carboxamide
SMILESO=C1C[C@@H](NC(=O)N2CCCC[C@@H]2CCO)CN1c1ccccc1
InChIInChI=1S/C18H25N3O3/c22-11-9-16-8-4-5-10-20(16)18(24)19-14-12-17(23)21(13-14)15-6-2-1-3-7-15/h1-3,6-7,14,16,22H,4-5,8-13H2,(H,19,24)/t14-,16-/m1/s1
InChIKeyLPJXUMYVFYNOPO-GDBMZVCRSA-N
MW331.42 g/mol
LogP1.74
Rot. Bonds4

About (2R)-2-(2-hydroxyethyl)-N-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]piperidine-1-carboxamide

(2R)-2-(2-hydroxyethyl)-N-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]piperidine-1-carboxamide (PubChem CID 7513267) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is (2R)-2-(2-hydroxyethyl)-N-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]piperidine-1-carboxamide.

Molecular Properties

Compound Name(2R)-2-(2-hydroxyethyl)-N-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]piperidine-1-carboxamide
PubChem CID7513267
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC Name(2R)-2-(2-hydroxyethyl)-N-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]piperidine-1-carboxamide
SMILESO=C1C[C@@H](NC(=O)N2CCCC[C@@H]2CCO)CN1c1ccccc1
InChIInChI=1S/C18H25N3O3/c22-11-9-16-8-4-5-10-20(16)18(24)19-14-12-17(23)21(13-14)15-6-2-1-3-7-15/h1-3,6-7,14,16,22H,4-5,8-13H2,(H,19,24)/t14-,16-/m1/s1
InChIKeyLPJXUMYVFYNOPO-GDBMZVCRSA-N
XLogP1.74
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-ethyl-N-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]piperidine-1-carboxamide
CID 7513252
(2R)-2-(2-hydroxyethyl)-N-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]piperidine-1-carboxamide
CID 7544903
N-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-2-(2-hydroxyethyl)piperidine-1-carboxamide
CID 43969537
(2R)-N-[(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidin-3-yl]-2-(2-hydroxyethyl)piperidine-1-carboxamide
CID 7552116
N-[1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-2-(2-hydroxyethyl)piperidine-1-carboxamide
CID 43970748
(2R)-2-ethyl-N-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]piperidine-1-carboxamide
CID 7547783
(2S)-N-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-2-ethylpiperidine-1-carboxamide
CID 7548618
(2R)-2-ethyl-N-[(3R)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]piperidine-1-carboxamide
CID 7546843
N-cyclopentyl-2-(2-hydroxyethyl)piperidine-1-carboxamide
CID 78942638
1-cyclododecyl-3-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]urea
CID 7513394
N-(5-oxo-1-phenylpyrrolidin-3-yl)-3-phenylpyrrolidine-1-carboxamide
CID 71882274
1-N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]piperidine-1,4-dicarboxamide
CID 7209085

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-hydroxyethyl)-N-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]piperidine-1-carboxamide?
The IUPAC name of (2R)-2-(2-hydroxyethyl)-N-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]piperidine-1-carboxamide (CID 7513267) is (2R)-2-(2-hydroxyethyl)-N-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]piperidine-1-carboxamide.
What is the SMILES notation for (2R)-2-(2-hydroxyethyl)-N-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]piperidine-1-carboxamide?
The canonical SMILES for (2R)-2-(2-hydroxyethyl)-N-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]piperidine-1-carboxamide is O=C1C[C@@H](NC(=O)N2CCCC[C@@H]2CCO)CN1c1ccccc1.
What is the InChIKey of (2R)-2-(2-hydroxyethyl)-N-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]piperidine-1-carboxamide?
The InChIKey is LPJXUMYVFYNOPO-GDBMZVCRSA-N. The full InChI is InChI=1S/C18H25N3O3/c22-11-9-16-8-4-5-10-20(16)18(24)19-14-12-17(23)21(13-14)15-6-2-1-3-7-15/h1-3,6-7,14,16,22H,4-5,8-13H2,(H,19,24)/t14-,16-/m1/s1.
What are the key properties of (2R)-2-(2-hydroxyethyl)-N-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]piperidine-1-carboxamide?
(2R)-2-(2-hydroxyethyl)-N-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]piperidine-1-carboxamide has a molecular weight of 331.42 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-hydroxyethyl)-N-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]piperidine-1-carboxamide is sourced from PubChem (CID 7513267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).