[2-(1-benzylpiperidin-4-yl)pyrrolidin-1-yl]-pyridin-4-ylmethanone

C22H27N3O — CID 51097801

IUPAC[2-(1-benzylpiperidin-4-yl)pyrrolidin-1-yl]-pyridin-4-ylmethanone
SMILESO=C(c1ccncc1)N1CCCC1C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C22H27N3O/c26-22(20-8-12-23-13-9-20)25-14-4-7-21(25)19-10-15-24(16-11-19)17-18-5-2-1-3-6-18/h1-3,5-6,8-9,12-13,19,21H,4,7,10-11,14-17H2
InChIKeyCEFWTULBTKBTCY-UHFFFAOYSA-N
MW349.48 g/mol
LogP3.60
Rot. Bonds4

About [2-(1-benzylpiperidin-4-yl)pyrrolidin-1-yl]-pyridin-4-ylmethanone

[2-(1-benzylpiperidin-4-yl)pyrrolidin-1-yl]-pyridin-4-ylmethanone (PubChem CID 51097801) has the molecular formula C22H27N3O and a molecular weight of 349.48 g/mol. Its IUPAC name is [2-(1-benzylpiperidin-4-yl)pyrrolidin-1-yl]-pyridin-4-ylmethanone.

Molecular Properties

Compound Name[2-(1-benzylpiperidin-4-yl)pyrrolidin-1-yl]-pyridin-4-ylmethanone
PubChem CID51097801
Molecular FormulaC22H27N3O
Molecular Weight349.48 g/mol
Exact Mass349.22
IUPAC Name[2-(1-benzylpiperidin-4-yl)pyrrolidin-1-yl]-pyridin-4-ylmethanone
SMILESO=C(c1ccncc1)N1CCCC1C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C22H27N3O/c26-22(20-8-12-23-13-9-20)25-14-4-7-21(25)19-10-15-24(16-11-19)17-18-5-2-1-3-6-18/h1-3,5-6,8-9,12-13,19,21H,4,7,10-11,14-17H2
InChIKeyCEFWTULBTKBTCY-UHFFFAOYSA-N
XLogP3.60
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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4-Phenyl-1-(pyridine-3-carbonyl)pyrrolidin-2-one
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N,N-Diethylisonicotinamide
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(4,5-Dihydro-5-phenyl-1H-pyrazol-1-yl)-4-pyridinylmethanone
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(2Z,6E)-4-methyl-2,6-bis(pyridin-4-ylmethylene)cyclohexanone
CID 16188433
N-(3,3-diphenylpropyl)pyridine-4-carboxamide
CID 5193384
(3-Azabicyclo[3.1.0]hexan-3-yl)(5-((3-fluorophenyl)ethynyl)pyridin-2-yl)methanone
CID 70789094
Sdm-8
CID 138106851
N-(4-fluorobenzyl)isonicotinamide
CID 882119

Frequently Asked Questions

What is the IUPAC name of [2-(1-benzylpiperidin-4-yl)pyrrolidin-1-yl]-pyridin-4-ylmethanone?
The IUPAC name of [2-(1-benzylpiperidin-4-yl)pyrrolidin-1-yl]-pyridin-4-ylmethanone (CID 51097801) is [2-(1-benzylpiperidin-4-yl)pyrrolidin-1-yl]-pyridin-4-ylmethanone.
What is the SMILES notation for [2-(1-benzylpiperidin-4-yl)pyrrolidin-1-yl]-pyridin-4-ylmethanone?
The canonical SMILES for [2-(1-benzylpiperidin-4-yl)pyrrolidin-1-yl]-pyridin-4-ylmethanone is O=C(c1ccncc1)N1CCCC1C1CCN(Cc2ccccc2)CC1.
What is the InChIKey of [2-(1-benzylpiperidin-4-yl)pyrrolidin-1-yl]-pyridin-4-ylmethanone?
The InChIKey is CEFWTULBTKBTCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O/c26-22(20-8-12-23-13-9-20)25-14-4-7-21(25)19-10-15-24(16-11-19)17-18-5-2-1-3-6-18/h1-3,5-6,8-9,12-13,19,21H,4,7,10-11,14-17H2.
What are the key properties of [2-(1-benzylpiperidin-4-yl)pyrrolidin-1-yl]-pyridin-4-ylmethanone?
[2-(1-benzylpiperidin-4-yl)pyrrolidin-1-yl]-pyridin-4-ylmethanone has a molecular weight of 349.48 g/mol, XLogP of 3.60, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-benzylpiperidin-4-yl)pyrrolidin-1-yl]-pyridin-4-ylmethanone is sourced from PubChem (CID 51097801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).