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

C23H30N4O — CID 4551047

IUPAC(4-benzylpiperazin-1-yl)-[1-(pyridin-2-ylmethyl)piperidin-3-yl]methanone
SMILESO=C(C1CCCN(Cc2ccccn2)C1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C23H30N4O/c28-23(21-9-6-12-26(18-21)19-22-10-4-5-11-24-22)27-15-13-25(14-16-27)17-20-7-2-1-3-8-20/h1-5,7-8,10-11,21H,6,9,12-19H2
InChIKeyKINVEYDSKJUJEK-UHFFFAOYSA-N
MW378.52 g/mol
LogP2.64
Rot. Bonds5

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

(4-benzylpiperazin-1-yl)-[1-(pyridin-2-ylmethyl)piperidin-3-yl]methanone (PubChem CID 4551047) has the molecular formula C23H30N4O and a molecular weight of 378.52 g/mol. Its IUPAC name is (4-benzylpiperazin-1-yl)-[1-(pyridin-2-ylmethyl)piperidin-3-yl]methanone.

Molecular Properties

Compound Name(4-benzylpiperazin-1-yl)-[1-(pyridin-2-ylmethyl)piperidin-3-yl]methanone
PubChem CID4551047
Molecular FormulaC23H30N4O
Molecular Weight378.52 g/mol
Exact Mass378.24
IUPAC Name(4-benzylpiperazin-1-yl)-[1-(pyridin-2-ylmethyl)piperidin-3-yl]methanone
SMILESO=C(C1CCCN(Cc2ccccn2)C1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C23H30N4O/c28-23(21-9-6-12-26(18-21)19-22-10-4-5-11-24-22)27-15-13-25(14-16-27)17-20-7-2-1-3-8-20/h1-5,7-8,10-11,21H,6,9,12-19H2
InChIKeyKINVEYDSKJUJEK-UHFFFAOYSA-N
XLogP2.64
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4-benzylpiperazin-1-yl)-[1-(pyridin-2-ylmethyl)piperidin-3-yl]methanone with MolForge

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Related Compounds

azepan-1-yl-[1-(pyridin-2-ylmethyl)piperidin-3-yl]methanone
CID 5116844
(4-benzylpiperidin-1-yl)-[1-(pyridin-2-ylmethyl)piperidin-3-yl]methanone
CID 3783118
[(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
[(3R)-1-benzylpiperidin-3-yl]-piperidin-1-ylmethanone
CID 756196
azepan-1-yl-[(3R)-1-benzylpiperidin-3-yl]methanone
CID 756185
(4-benzylpiperazin-1-yl)-[(3R)-1-[(2,6-dichlorophenyl)methyl]piperidin-3-yl]methanone
CID 93491661
(4-benzylpiperazin-1-yl)-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methanone
CID 43922259
piperidin-3-yl-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone
CID 60940276
(4-benzyl-1,4-diazepan-1-yl)-cyclopentylmethanone
CID 23939190
1-(2-phenylethyl)-4-[4-(pyridin-2-ylmethyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 51262946
[1-(6-methylpyridazin-3-yl)piperidin-3-yl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone
CID 121118686

Frequently Asked Questions

What is the IUPAC name of (4-benzylpiperazin-1-yl)-[1-(pyridin-2-ylmethyl)piperidin-3-yl]methanone?
The IUPAC name of (4-benzylpiperazin-1-yl)-[1-(pyridin-2-ylmethyl)piperidin-3-yl]methanone (CID 4551047) is (4-benzylpiperazin-1-yl)-[1-(pyridin-2-ylmethyl)piperidin-3-yl]methanone.
What is the SMILES notation for (4-benzylpiperazin-1-yl)-[1-(pyridin-2-ylmethyl)piperidin-3-yl]methanone?
The canonical SMILES for (4-benzylpiperazin-1-yl)-[1-(pyridin-2-ylmethyl)piperidin-3-yl]methanone is O=C(C1CCCN(Cc2ccccn2)C1)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of (4-benzylpiperazin-1-yl)-[1-(pyridin-2-ylmethyl)piperidin-3-yl]methanone?
The InChIKey is KINVEYDSKJUJEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O/c28-23(21-9-6-12-26(18-21)19-22-10-4-5-11-24-22)27-15-13-25(14-16-27)17-20-7-2-1-3-8-20/h1-5,7-8,10-11,21H,6,9,12-19H2.
What are the key properties of (4-benzylpiperazin-1-yl)-[1-(pyridin-2-ylmethyl)piperidin-3-yl]methanone?
(4-benzylpiperazin-1-yl)-[1-(pyridin-2-ylmethyl)piperidin-3-yl]methanone has a molecular weight of 378.52 g/mol, XLogP of 2.64, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylpiperazin-1-yl)-[1-(pyridin-2-ylmethyl)piperidin-3-yl]methanone is sourced from PubChem (CID 4551047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).