(3S)-N-[(3R)-1-benzylpiperidin-3-yl]-1-methyl-5-oxopyrrolidine-3-carboxamide

C18H25N3O2 — CID 95136177

IUPAC(3S)-N-[(3R)-1-benzylpiperidin-3-yl]-1-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCN1C[C@@H](C(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)CC1=O
InChIInChI=1S/C18H25N3O2/c1-20-12-15(10-17(20)22)18(23)19-16-8-5-9-21(13-16)11-14-6-3-2-4-7-14/h2-4,6-7,15-16H,5,8-13H2,1H3,(H,19,23)/t15-,16+/m0/s1
InChIKeyXDWMMCMMIHCQMU-JKSUJKDBSA-N
MW315.42 g/mol
LogP1.25
Rot. Bonds4

About (3S)-N-[(3R)-1-benzylpiperidin-3-yl]-1-methyl-5-oxopyrrolidine-3-carboxamide

(3S)-N-[(3R)-1-benzylpiperidin-3-yl]-1-methyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 95136177) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is (3S)-N-[(3R)-1-benzylpiperidin-3-yl]-1-methyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[(3R)-1-benzylpiperidin-3-yl]-1-methyl-5-oxopyrrolidine-3-carboxamide
PubChem CID95136177
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name(3S)-N-[(3R)-1-benzylpiperidin-3-yl]-1-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCN1C[C@@H](C(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)CC1=O
InChIInChI=1S/C18H25N3O2/c1-20-12-15(10-17(20)22)18(23)19-16-8-5-9-21(13-16)11-14-6-3-2-4-7-14/h2-4,6-7,15-16H,5,8-13H2,1H3,(H,19,23)/t15-,16+/m0/s1
InChIKeyXDWMMCMMIHCQMU-JKSUJKDBSA-N
XLogP1.25
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-benzylpyrrolidin-3-yl)-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 75460856
(3S)-N-[(3R)-1-benzyl-2-oxopyrrolidin-3-yl]-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 97315046
(3S)-N-[(3S)-1-benzyl-2-oxopyrrolidin-3-yl]-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 97315048
N-[(3S)-1-benzylpiperidin-3-yl]acetamide
CID 58526543
1-(1-benzylpiperidin-3-yl)-3-cyclobutylurea
CID 115617829
3-amino-N-(1-benzylpiperidin-3-yl)cyclopentane-1-carboxamide;dihydrochloride
CID 119855968
N-(1-benzylpiperidin-3-yl)piperidine-3-carboxamide
CID 119855944
(4S)-4-(4-benzyl-1,4-diazepane-1-carbonyl)-1-methylpyrrolidin-2-one
CID 94092803
N-(1-benzylpyrrolidin-3-yl)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 55360345
(3S)-N-(1-benzylpiperidin-4-yl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 42234773
N-(1-benzylpiperidin-3-yl)butanamide
CID 60756097
1-(1-benzylpiperidin-3-yl)-2-methylguanidine;hydroiodide
CID 84583445

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(3R)-1-benzylpiperidin-3-yl]-1-methyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3S)-N-[(3R)-1-benzylpiperidin-3-yl]-1-methyl-5-oxopyrrolidine-3-carboxamide (CID 95136177) is (3S)-N-[(3R)-1-benzylpiperidin-3-yl]-1-methyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[(3R)-1-benzylpiperidin-3-yl]-1-methyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-N-[(3R)-1-benzylpiperidin-3-yl]-1-methyl-5-oxopyrrolidine-3-carboxamide is CN1C[C@@H](C(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)CC1=O.
What is the InChIKey of (3S)-N-[(3R)-1-benzylpiperidin-3-yl]-1-methyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is XDWMMCMMIHCQMU-JKSUJKDBSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-20-12-15(10-17(20)22)18(23)19-16-8-5-9-21(13-16)11-14-6-3-2-4-7-14/h2-4,6-7,15-16H,5,8-13H2,1H3,(H,19,23)/t15-,16+/m0/s1.
What are the key properties of (3S)-N-[(3R)-1-benzylpiperidin-3-yl]-1-methyl-5-oxopyrrolidine-3-carboxamide?
(3S)-N-[(3R)-1-benzylpiperidin-3-yl]-1-methyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 315.42 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(3R)-1-benzylpiperidin-3-yl]-1-methyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 95136177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).