(4-benzylpiperidin-1-yl)-[1-(pyridin-2-ylmethyl)piperidin-3-yl]methanone

C24H31N3O — CID 3783118

IUPAC(4-benzylpiperidin-1-yl)-[1-(pyridin-2-ylmethyl)piperidin-3-yl]methanone
SMILESO=C(C1CCCN(Cc2ccccn2)C1)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C24H31N3O/c28-24(22-9-6-14-26(18-22)19-23-10-4-5-13-25-23)27-15-11-21(12-16-27)17-20-7-2-1-3-8-20/h1-5,7-8,10,13,21-22H,6,9,11-12,14-19H2
InChIKeyHBFZNKLHHSIZCR-UHFFFAOYSA-N
MW377.53 g/mol
LogP3.77
Rot. Bonds5

About (4-benzylpiperidin-1-yl)-[1-(pyridin-2-ylmethyl)piperidin-3-yl]methanone

(4-benzylpiperidin-1-yl)-[1-(pyridin-2-ylmethyl)piperidin-3-yl]methanone (PubChem CID 3783118) has the molecular formula C24H31N3O and a molecular weight of 377.53 g/mol. Its IUPAC name is (4-benzylpiperidin-1-yl)-[1-(pyridin-2-ylmethyl)piperidin-3-yl]methanone.

Molecular Properties

Compound Name(4-benzylpiperidin-1-yl)-[1-(pyridin-2-ylmethyl)piperidin-3-yl]methanone
PubChem CID3783118
Molecular FormulaC24H31N3O
Molecular Weight377.53 g/mol
Exact Mass377.25
IUPAC Name(4-benzylpiperidin-1-yl)-[1-(pyridin-2-ylmethyl)piperidin-3-yl]methanone
SMILESO=C(C1CCCN(Cc2ccccn2)C1)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C24H31N3O/c28-24(22-9-6-14-26(18-22)19-23-10-4-5-13-25-23)27-15-11-21(12-16-27)17-20-7-2-1-3-8-20/h1-5,7-8,10,13,21-22H,6,9,11-12,14-19H2
InChIKeyHBFZNKLHHSIZCR-UHFFFAOYSA-N
XLogP3.77
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.53
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

azepan-1-yl-[1-(pyridin-2-ylmethyl)piperidin-3-yl]methanone
CID 5116844
(4-benzylpiperazin-1-yl)-[1-(pyridin-2-ylmethyl)piperidin-3-yl]methanone
CID 4551047
(4-benzylpiperidin-1-yl)-[1-[(4-ethylphenyl)methyl]piperidin-3-yl]methanone
CID 3482407
(4-benzylpiperidin-1-yl)-[(3R)-1-[(2-nitrophenyl)methyl]piperidin-3-yl]methanone
CID 7344095
(4-benzylpiperidin-1-yl)-[(3R)-1-[(3-methoxyphenyl)methyl]piperidin-3-yl]methanone
CID 40640492
[(3S)-1-(furan-2-ylmethyl)piperidin-3-yl]-[4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]methanone
CID 97187368
[1-(furan-2-ylmethyl)piperidin-3-yl]-[4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]methanone
CID 72840558
azepan-1-yl-[(3R)-1-benzylpiperidin-3-yl]methanone
CID 756185
[(3R)-1-benzylpiperidin-3-yl]-piperidin-1-ylmethanone
CID 756196
(4-benzylpiperidin-1-yl)-[1-(2-bicyclo[2.2.1]hept-5-enylmethyl)piperidin-3-yl]methanone
CID 5205843
(4-benzylpiperidin-1-yl)-[1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidin-3-yl]methanone;oxalic acid
CID 90483542
(3-benzylpyrrolidin-1-yl)-cyclobutylmethanone
CID 110874334

Frequently Asked Questions

What is the IUPAC name of (4-benzylpiperidin-1-yl)-[1-(pyridin-2-ylmethyl)piperidin-3-yl]methanone?
The IUPAC name of (4-benzylpiperidin-1-yl)-[1-(pyridin-2-ylmethyl)piperidin-3-yl]methanone (CID 3783118) is (4-benzylpiperidin-1-yl)-[1-(pyridin-2-ylmethyl)piperidin-3-yl]methanone.
What is the SMILES notation for (4-benzylpiperidin-1-yl)-[1-(pyridin-2-ylmethyl)piperidin-3-yl]methanone?
The canonical SMILES for (4-benzylpiperidin-1-yl)-[1-(pyridin-2-ylmethyl)piperidin-3-yl]methanone is O=C(C1CCCN(Cc2ccccn2)C1)N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of (4-benzylpiperidin-1-yl)-[1-(pyridin-2-ylmethyl)piperidin-3-yl]methanone?
The InChIKey is HBFZNKLHHSIZCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O/c28-24(22-9-6-14-26(18-22)19-23-10-4-5-13-25-23)27-15-11-21(12-16-27)17-20-7-2-1-3-8-20/h1-5,7-8,10,13,21-22H,6,9,11-12,14-19H2.
What are the key properties of (4-benzylpiperidin-1-yl)-[1-(pyridin-2-ylmethyl)piperidin-3-yl]methanone?
(4-benzylpiperidin-1-yl)-[1-(pyridin-2-ylmethyl)piperidin-3-yl]methanone has a molecular weight of 377.53 g/mol, XLogP of 3.77, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylpiperidin-1-yl)-[1-(pyridin-2-ylmethyl)piperidin-3-yl]methanone is sourced from PubChem (CID 3783118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).