N-(1-benzylpiperidin-4-yl)-2-oxo-2-pyrrolidin-1-ylacetamide

C18H25N3O2 — CID 108521147

IUPACN-(1-benzylpiperidin-4-yl)-2-oxo-2-pyrrolidin-1-ylacetamide
SMILESO=C(NC1CCN(Cc2ccccc2)CC1)C(=O)N1CCCC1
InChIInChI=1S/C18H25N3O2/c22-17(18(23)21-10-4-5-11-21)19-16-8-12-20(13-9-16)14-15-6-2-1-3-7-15/h1-3,6-7,16H,4-5,8-14H2,(H,19,22)
InChIKeyVKYZXZPWZDSGNA-UHFFFAOYSA-N
MW315.42 g/mol
LogP1.39
Rot. Bonds3

About N-(1-benzylpiperidin-4-yl)-2-oxo-2-pyrrolidin-1-ylacetamide

N-(1-benzylpiperidin-4-yl)-2-oxo-2-pyrrolidin-1-ylacetamide (PubChem CID 108521147) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-2-oxo-2-pyrrolidin-1-ylacetamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-2-oxo-2-pyrrolidin-1-ylacetamide
PubChem CID108521147
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC NameN-(1-benzylpiperidin-4-yl)-2-oxo-2-pyrrolidin-1-ylacetamide
SMILESO=C(NC1CCN(Cc2ccccc2)CC1)C(=O)N1CCCC1
InChIInChI=1S/C18H25N3O2/c22-17(18(23)21-10-4-5-11-21)19-16-8-12-20(13-9-16)14-15-6-2-1-3-7-15/h1-3,6-7,16H,4-5,8-14H2,(H,19,22)
InChIKeyVKYZXZPWZDSGNA-UHFFFAOYSA-N
XLogP1.39
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-(1-benzylpiperidin-4-yl)cyclobutanecarboxamide
CID 2729529
1-benzyl-N-cyclopentylpiperidine-4-carboxamide
CID 2186968
ethyl 2-[(1-benzylpiperidin-4-yl)amino]-2-oxoacetate
CID 60894842
1-acetyl-N-(1-benzylpiperidin-4-yl)piperidine-4-carboxamide
CID 108804424
N-(1-benzylpiperidin-4-yl)-2-methoxyacetamide
CID 836236
N'-(1-benzylpiperidin-4-yl)butanediamide
CID 151114474
N-(1-benzylpiperidin-4-yl)-2-cyanoacetamide
CID 22689014
N-(1-benzylpiperidin-4-yl)-N'-(1,2,4-triazol-4-yl)oxamide
CID 108519242
[2-[[(3R)-1-benzylpyrrolidin-3-yl]amino]-2-oxoethyl] pyrrolidine-1-carbodithioate
CID 8694516
(2R)-N-(1-benzylpiperidin-4-yl)-2-hydroxy-2-phenylacetamide
CID 118541642
(2S)-2-amino-N-(1-benzylpiperidin-4-yl)propanamide
CID 770488
[(1-benzylpiperidin-4-yl)amino]carbamic acid
CID 68925695

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-2-oxo-2-pyrrolidin-1-ylacetamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-2-oxo-2-pyrrolidin-1-ylacetamide (CID 108521147) is N-(1-benzylpiperidin-4-yl)-2-oxo-2-pyrrolidin-1-ylacetamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-2-oxo-2-pyrrolidin-1-ylacetamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-2-oxo-2-pyrrolidin-1-ylacetamide is O=C(NC1CCN(Cc2ccccc2)CC1)C(=O)N1CCCC1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-2-oxo-2-pyrrolidin-1-ylacetamide?
The InChIKey is VKYZXZPWZDSGNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c22-17(18(23)21-10-4-5-11-21)19-16-8-12-20(13-9-16)14-15-6-2-1-3-7-15/h1-3,6-7,16H,4-5,8-14H2,(H,19,22).
What are the key properties of N-(1-benzylpiperidin-4-yl)-2-oxo-2-pyrrolidin-1-ylacetamide?
N-(1-benzylpiperidin-4-yl)-2-oxo-2-pyrrolidin-1-ylacetamide has a molecular weight of 315.42 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-2-oxo-2-pyrrolidin-1-ylacetamide is sourced from PubChem (CID 108521147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).