(1-benzylpiperidin-4-yl)-pyrrolidin-1-ylmethanone

C17H24N2O — CID 883949

IUPAC(1-benzylpiperidin-4-yl)-pyrrolidin-1-ylmethanone
SMILESO=C(C1CCN(Cc2ccccc2)CC1)N1CCCC1
InChIInChI=1S/C17H24N2O/c20-17(19-10-4-5-11-19)16-8-12-18(13-9-16)14-15-6-2-1-3-7-15/h1-3,6-7,16H,4-5,8-14H2
InChIKeyIINLAWYOYBNOJT-UHFFFAOYSA-N
MW272.39 g/mol
LogP2.52
Rot. Bonds3

About (1-benzylpiperidin-4-yl)-pyrrolidin-1-ylmethanone

(1-benzylpiperidin-4-yl)-pyrrolidin-1-ylmethanone (PubChem CID 883949) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is (1-benzylpiperidin-4-yl)-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name(1-benzylpiperidin-4-yl)-pyrrolidin-1-ylmethanone
PubChem CID883949
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name(1-benzylpiperidin-4-yl)-pyrrolidin-1-ylmethanone
SMILESO=C(C1CCN(Cc2ccccc2)CC1)N1CCCC1
InChIInChI=1S/C17H24N2O/c20-17(19-10-4-5-11-19)16-8-12-18(13-9-16)14-15-6-2-1-3-7-15/h1-3,6-7,16H,4-5,8-14H2
InChIKeyIINLAWYOYBNOJT-UHFFFAOYSA-N
XLogP2.52
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 65926
AI3-37157
CID 760213
1-(Phenylmethyl)-2,5-pyrrolidinedione
CID 95241
1-Benzyl-3-pyrrolidone
CID 79176
Acetamide, N,N-bis(phenylmethyl)-
CID 82657
AI3-37156
CID 897567
4-[4-[Bis(4-fluorophenyl)methylidene]piperidin-1-yl]-1-pyrrolidin-1-ylbutan-1-one
CID 9804326
1-Benzyl-4-(1-pyrrolidinyl)piperidine-4-carboxamide
CID 81582
1-Benzylpiperidine-4-carbaldehyde
CID 89584
1-(1-Benzylpyrrolidin-3-yl)ethan-1-one
CID 357952
N-benzyl-1-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide
CID 3239373
2-ethyl-1-[(3S,4S)-3-phenyl-4-[(4-phenyl-1-piperidyl)methyl]pyrrolidin-1-yl]butan-1-one
CID 489827

Frequently Asked Questions

What is the IUPAC name of (1-benzylpiperidin-4-yl)-pyrrolidin-1-ylmethanone?
The IUPAC name of (1-benzylpiperidin-4-yl)-pyrrolidin-1-ylmethanone (CID 883949) is (1-benzylpiperidin-4-yl)-pyrrolidin-1-ylmethanone.
What is the SMILES notation for (1-benzylpiperidin-4-yl)-pyrrolidin-1-ylmethanone?
The canonical SMILES for (1-benzylpiperidin-4-yl)-pyrrolidin-1-ylmethanone is O=C(C1CCN(Cc2ccccc2)CC1)N1CCCC1.
What is the InChIKey of (1-benzylpiperidin-4-yl)-pyrrolidin-1-ylmethanone?
The InChIKey is IINLAWYOYBNOJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c20-17(19-10-4-5-11-19)16-8-12-18(13-9-16)14-15-6-2-1-3-7-15/h1-3,6-7,16H,4-5,8-14H2.
What are the key properties of (1-benzylpiperidin-4-yl)-pyrrolidin-1-ylmethanone?
(1-benzylpiperidin-4-yl)-pyrrolidin-1-ylmethanone has a molecular weight of 272.39 g/mol, XLogP of 2.52, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzylpiperidin-4-yl)-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 883949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).