[4-[(4-benzylpiperidin-1-yl)methyl]phenyl]-piperidin-1-ylmethanone

C25H32N2O — CID 1354348

IUPAC[4-[(4-benzylpiperidin-1-yl)methyl]phenyl]-piperidin-1-ylmethanone
SMILESO=C(c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1)N1CCCCC1
InChIInChI=1S/C25H32N2O/c28-25(27-15-5-2-6-16-27)24-11-9-23(10-12-24)20-26-17-13-22(14-18-26)19-21-7-3-1-4-8-21/h1,3-4,7-12,22H,2,5-6,13-20H2
InChIKeyHUTNDZDFGQTVGD-UHFFFAOYSA-N
MW376.54 g/mol
LogP4.77
Rot. Bonds5

About [4-[(4-benzylpiperidin-1-yl)methyl]phenyl]-piperidin-1-ylmethanone

[4-[(4-benzylpiperidin-1-yl)methyl]phenyl]-piperidin-1-ylmethanone (PubChem CID 1354348) has the molecular formula C25H32N2O and a molecular weight of 376.54 g/mol. Its IUPAC name is [4-[(4-benzylpiperidin-1-yl)methyl]phenyl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[4-[(4-benzylpiperidin-1-yl)methyl]phenyl]-piperidin-1-ylmethanone
PubChem CID1354348
Molecular FormulaC25H32N2O
Molecular Weight376.54 g/mol
Exact Mass376.25
IUPAC Name[4-[(4-benzylpiperidin-1-yl)methyl]phenyl]-piperidin-1-ylmethanone
SMILESO=C(c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1)N1CCCCC1
InChIInChI=1S/C25H32N2O/c28-25(27-15-5-2-6-16-27)24-11-9-23(10-12-24)20-26-17-13-22(14-18-26)19-21-7-3-1-4-8-21/h1,3-4,7-12,22H,2,5-6,13-20H2
InChIKeyHUTNDZDFGQTVGD-UHFFFAOYSA-N
XLogP4.77
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.54
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze [4-[(4-benzylpiperidin-1-yl)methyl]phenyl]-piperidin-1-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-[(4-benzylpiperidin-1-yl)methyl]phenyl]-(4-ethylpiperazin-1-yl)methanone
CID 46043505
(4-benzylpiperidin-1-yl)-phenylmethanone
CID 796596
[4-[(4-benzylpiperazin-1-yl)methyl]phenyl]-(4-methylpiperidin-1-yl)methanone
CID 126191918
4-benzyl-1-[(4-ethylphenyl)methyl]piperidine;oxalic acid
CID 163328080
[4-[(4-benzylpiperazin-1-yl)methyl]piperidin-1-yl]-phenylmethanone
CID 110284785
[3-(4-benzylpiperidin-1-yl)sulfonyl-4-chlorophenyl]-piperidin-1-ylmethanone
CID 134016677
azepan-1-yl-[2-(4-benzylpiperidin-1-yl)pyrimidin-5-yl]methanone
CID 109264112
(4-benzylpiperidin-1-yl)-(4-methylsulfanylphenyl)methanone
CID 78791820
4-benzyl-1-[(4-methylphenyl)methyl]piperidine
CID 3498504
(4-benzylpiperidin-1-yl)-(6-piperidin-1-yl-3-pyridinyl)methanone
CID 109152306
(4-benzylpiperidin-1-yl)-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methanone
CID 99289952
N-(1-benzylpiperidin-4-yl)-1-(4-methylbenzoyl)piperidine-3-carboxamide
CID 46404586

Frequently Asked Questions

What is the IUPAC name of [4-[(4-benzylpiperidin-1-yl)methyl]phenyl]-piperidin-1-ylmethanone?
The IUPAC name of [4-[(4-benzylpiperidin-1-yl)methyl]phenyl]-piperidin-1-ylmethanone (CID 1354348) is [4-[(4-benzylpiperidin-1-yl)methyl]phenyl]-piperidin-1-ylmethanone.
What is the SMILES notation for [4-[(4-benzylpiperidin-1-yl)methyl]phenyl]-piperidin-1-ylmethanone?
The canonical SMILES for [4-[(4-benzylpiperidin-1-yl)methyl]phenyl]-piperidin-1-ylmethanone is O=C(c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1)N1CCCCC1.
What is the InChIKey of [4-[(4-benzylpiperidin-1-yl)methyl]phenyl]-piperidin-1-ylmethanone?
The InChIKey is HUTNDZDFGQTVGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O/c28-25(27-15-5-2-6-16-27)24-11-9-23(10-12-24)20-26-17-13-22(14-18-26)19-21-7-3-1-4-8-21/h1,3-4,7-12,22H,2,5-6,13-20H2.
What are the key properties of [4-[(4-benzylpiperidin-1-yl)methyl]phenyl]-piperidin-1-ylmethanone?
[4-[(4-benzylpiperidin-1-yl)methyl]phenyl]-piperidin-1-ylmethanone has a molecular weight of 376.54 g/mol, XLogP of 4.77, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-benzylpiperidin-1-yl)methyl]phenyl]-piperidin-1-ylmethanone is sourced from PubChem (CID 1354348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).