[2-(4-benzylpiperidin-1-yl)-3-pyridinyl]-pyrrolidin-1-ylmethanone

C22H27N3O — CID 1441062

IUPAC[2-(4-benzylpiperidin-1-yl)-3-pyridinyl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1cccnc1N1CCC(Cc2ccccc2)CC1)N1CCCC1
InChIInChI=1S/C22H27N3O/c26-22(25-13-4-5-14-25)20-9-6-12-23-21(20)24-15-10-19(11-16-24)17-18-7-2-1-3-8-18/h1-3,6-9,12,19H,4-5,10-11,13-17H2
InChIKeyXEWPBYQBBJFHDO-UHFFFAOYSA-N
MW349.48 g/mol
LogP3.78
Rot. Bonds4

About [2-(4-benzylpiperidin-1-yl)-3-pyridinyl]-pyrrolidin-1-ylmethanone

[2-(4-benzylpiperidin-1-yl)-3-pyridinyl]-pyrrolidin-1-ylmethanone (PubChem CID 1441062) has the molecular formula C22H27N3O and a molecular weight of 349.48 g/mol. Its IUPAC name is [2-(4-benzylpiperidin-1-yl)-3-pyridinyl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[2-(4-benzylpiperidin-1-yl)-3-pyridinyl]-pyrrolidin-1-ylmethanone
PubChem CID1441062
Molecular FormulaC22H27N3O
Molecular Weight349.48 g/mol
Exact Mass349.22
IUPAC Name[2-(4-benzylpiperidin-1-yl)-3-pyridinyl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1cccnc1N1CCC(Cc2ccccc2)CC1)N1CCCC1
InChIInChI=1S/C22H27N3O/c26-22(25-13-4-5-14-25)20-9-6-12-23-21(20)24-15-10-19(11-16-24)17-18-7-2-1-3-8-18/h1-3,6-9,12,19H,4-5,10-11,13-17H2
InChIKeyXEWPBYQBBJFHDO-UHFFFAOYSA-N
XLogP3.78
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 ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[(3S)-3-(2-phenylethyl)piperidin-1-yl]-3-pyridinyl]-piperidin-1-ylmethanone
CID 95873638
(4-benzylpiperidin-1-yl)-[2-(methylamino)-3-pyridinyl]methanone
CID 84575153
[2-(4-benzylpiperidin-1-yl)pyrimidin-4-yl]-pyrrolidin-1-ylmethanone
CID 109297729
(4-benzylpiperidin-1-yl)-[4-(3-pyrrolidin-1-ylpyrazin-2-yl)phenyl]methanone
CID 50847507
azepan-1-yl-[2-(4-benzylpiperidin-1-yl)pyrimidin-5-yl]methanone
CID 109264112
(4-benzylpiperidin-1-yl)-[2-(trifluoromethylsulfonyl)-3-pyridinyl]methanone
CID 47087921
phenyl-[4-(2-pyrrolidin-1-ylpyridine-3-carbonyl)piperazin-1-yl]methanone
CID 78806153
[4-(methylaminomethyl)piperidin-1-yl]-(2-pyrrolidin-1-yl-3-pyridinyl)methanone;dihydrochloride
CID 119545764
azepan-1-yl-[2-[4-(4-benzylpiperidine-1-carbonyl)-1,3-oxazol-5-yl]phenyl]methanone
CID 53122967
(4-phenylpiperazin-1-yl)-(2-pyrrolidin-1-yl-3-pyridinyl)methanone
CID 8934171
1-[4-(2-piperidin-1-ylpyridine-3-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 56813825
(4-benzylpiperidin-1-yl)-(1-methylpyrrolo[2,3-b]pyridin-3-yl)methanone
CID 53162861

Frequently Asked Questions

What is the IUPAC name of [2-(4-benzylpiperidin-1-yl)-3-pyridinyl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [2-(4-benzylpiperidin-1-yl)-3-pyridinyl]-pyrrolidin-1-ylmethanone (CID 1441062) is [2-(4-benzylpiperidin-1-yl)-3-pyridinyl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [2-(4-benzylpiperidin-1-yl)-3-pyridinyl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [2-(4-benzylpiperidin-1-yl)-3-pyridinyl]-pyrrolidin-1-ylmethanone is O=C(c1cccnc1N1CCC(Cc2ccccc2)CC1)N1CCCC1.
What is the InChIKey of [2-(4-benzylpiperidin-1-yl)-3-pyridinyl]-pyrrolidin-1-ylmethanone?
The InChIKey is XEWPBYQBBJFHDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O/c26-22(25-13-4-5-14-25)20-9-6-12-23-21(20)24-15-10-19(11-16-24)17-18-7-2-1-3-8-18/h1-3,6-9,12,19H,4-5,10-11,13-17H2.
What are the key properties of [2-(4-benzylpiperidin-1-yl)-3-pyridinyl]-pyrrolidin-1-ylmethanone?
[2-(4-benzylpiperidin-1-yl)-3-pyridinyl]-pyrrolidin-1-ylmethanone has a molecular weight of 349.48 g/mol, XLogP of 3.78, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-benzylpiperidin-1-yl)-3-pyridinyl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 1441062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).