1-(4-benzylpiperidin-1-yl)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one

C24H32N4O — CID 109030337

IUPAC1-(4-benzylpiperidin-1-yl)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
SMILESO=C(CCN1CCN(c2ccccn2)CC1)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C24H32N4O/c29-24(28-14-9-22(10-15-28)20-21-6-2-1-3-7-21)11-13-26-16-18-27(19-17-26)23-8-4-5-12-25-23/h1-8,12,22H,9-11,13-20H2
InChIKeyVJRYBURXJXFHOX-UHFFFAOYSA-N
MW392.55 g/mol
LogP3.08
Rot. Bonds6

About 1-(4-benzylpiperidin-1-yl)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one

1-(4-benzylpiperidin-1-yl)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one (PubChem CID 109030337) has the molecular formula C24H32N4O and a molecular weight of 392.55 g/mol. Its IUPAC name is 1-(4-benzylpiperidin-1-yl)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name1-(4-benzylpiperidin-1-yl)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
PubChem CID109030337
Molecular FormulaC24H32N4O
Molecular Weight392.55 g/mol
Exact Mass392.26
IUPAC Name1-(4-benzylpiperidin-1-yl)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
SMILESO=C(CCN1CCN(c2ccccn2)CC1)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C24H32N4O/c29-24(28-14-9-22(10-15-28)20-21-6-2-1-3-7-21)11-13-26-16-18-27(19-17-26)23-8-4-5-12-25-23/h1-8,12,22H,9-11,13-20H2
InChIKeyVJRYBURXJXFHOX-UHFFFAOYSA-N
XLogP3.08
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.55
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-benzylpiperidin-1-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 8547000
1-(4-methylpiperidin-1-yl)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 109014349
1-[(3R)-3-(methylsulfanylmethyl)pyrrolidin-1-yl]-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 95932558
3-[(3S)-3-hydroxypyrrolidin-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 111123056
3-[4-(2-methoxyethyl)piperazin-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 86924247
1-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 120659139
N-[1-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]piperidin-4-yl]cyclopropanecarboxamide
CID 37476198
1-(4-hydroxypiperidin-1-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 111446252
3-(4-pyridin-2-ylpiperazin-1-yl)propanamide;dihydrochloride
CID 11971564
1-(4-benzylpiperidin-1-yl)-2-pyridin-2-ylsulfanylethanone
CID 78760913
(3aS,7aS)-2-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 7974830
1,2-bis(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 2813993

Frequently Asked Questions

What is the IUPAC name of 1-(4-benzylpiperidin-1-yl)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one?
The IUPAC name of 1-(4-benzylpiperidin-1-yl)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one (CID 109030337) is 1-(4-benzylpiperidin-1-yl)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for 1-(4-benzylpiperidin-1-yl)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one?
The canonical SMILES for 1-(4-benzylpiperidin-1-yl)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one is O=C(CCN1CCN(c2ccccn2)CC1)N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of 1-(4-benzylpiperidin-1-yl)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one?
The InChIKey is VJRYBURXJXFHOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O/c29-24(28-14-9-22(10-15-28)20-21-6-2-1-3-7-21)11-13-26-16-18-27(19-17-26)23-8-4-5-12-25-23/h1-8,12,22H,9-11,13-20H2.
What are the key properties of 1-(4-benzylpiperidin-1-yl)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one?
1-(4-benzylpiperidin-1-yl)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one has a molecular weight of 392.55 g/mol, XLogP of 3.08, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzylpiperidin-1-yl)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 109030337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).