(1-benzyl-4-phenylpiperidin-4-yl)-(4-methylpiperazin-1-yl)methanone

C24H31N3O — CID 59395182

IUPAC(1-benzyl-4-phenylpiperidin-4-yl)-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)C2(c3ccccc3)CCN(Cc3ccccc3)CC2)CC1
InChIInChI=1S/C24H31N3O/c1-25-16-18-27(19-17-25)23(28)24(22-10-6-3-7-11-22)12-14-26(15-13-24)20-21-8-4-2-5-9-21/h2-11H,12-20H2,1H3
InChIKeyVMFLTKGYEMLRHJ-UHFFFAOYSA-N
MW377.53 g/mol
LogP2.99
Rot. Bonds4

About (1-benzyl-4-phenylpiperidin-4-yl)-(4-methylpiperazin-1-yl)methanone

(1-benzyl-4-phenylpiperidin-4-yl)-(4-methylpiperazin-1-yl)methanone (PubChem CID 59395182) has the molecular formula C24H31N3O and a molecular weight of 377.53 g/mol. Its IUPAC name is (1-benzyl-4-phenylpiperidin-4-yl)-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(1-benzyl-4-phenylpiperidin-4-yl)-(4-methylpiperazin-1-yl)methanone
PubChem CID59395182
Molecular FormulaC24H31N3O
Molecular Weight377.53 g/mol
Exact Mass377.25
IUPAC Name(1-benzyl-4-phenylpiperidin-4-yl)-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)C2(c3ccccc3)CCN(Cc3ccccc3)CC2)CC1
InChIInChI=1S/C24H31N3O/c1-25-16-18-27(19-17-25)23(28)24(22-10-6-3-7-11-22)12-14-26(15-13-24)20-21-8-4-2-5-9-21/h2-11H,12-20H2,1H3
InChIKeyVMFLTKGYEMLRHJ-UHFFFAOYSA-N
XLogP2.99
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.53
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(1-methyl-4-phenylpiperidin-4-yl)-piperazin-1-ylmethanone
CID 59716936
1-benzyl-N-(1-fluoropropan-2-yl)-4-phenylpiperidine-4-carboxamide
CID 166370243
1-benzyl-4-(4-chlorophenyl)piperidine-4-carbonyl chloride
CID 87592673
1-methyl-4-(1-methyl-4-phenylpiperidine-4-carbonyl)piperazin-2-one
CID 91836361
[1-[3-[(1-aminocyclopropyl)methyl]phenyl]cyclopropyl]-(4-methylpiperazin-1-yl)methanone
CID 115056085
(4-benzylpiperazin-1-yl)-(1-thiophen-2-ylcyclopentyl)methanone
CID 29401178
[1-(4-chlorophenyl)cyclobutyl]-(4-methylpiperazin-1-yl)methanone
CID 134016732
1-benzyl-4-methylpiperazine;formic acid
CID 54605116
1-[1-[[4-(4-ethylpiperazine-1-carbonyl)phenyl]methyl]-4-phenylpiperidin-4-yl]ethanone
CID 46162223
[(6S)-4-benzyl-6-hydroxy-1,4-diazepan-1-yl]-[1-(4-methylphenyl)cyclopropyl]methanone
CID 97276592
1-benzyl-4-methylpiperazine;methanamine
CID 174694163
1-benzyl-N'-hydroxy-4-phenylpiperidine-4-carboximidamide
CID 59869115

Frequently Asked Questions

What is the IUPAC name of (1-benzyl-4-phenylpiperidin-4-yl)-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of (1-benzyl-4-phenylpiperidin-4-yl)-(4-methylpiperazin-1-yl)methanone (CID 59395182) is (1-benzyl-4-phenylpiperidin-4-yl)-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for (1-benzyl-4-phenylpiperidin-4-yl)-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for (1-benzyl-4-phenylpiperidin-4-yl)-(4-methylpiperazin-1-yl)methanone is CN1CCN(C(=O)C2(c3ccccc3)CCN(Cc3ccccc3)CC2)CC1.
What is the InChIKey of (1-benzyl-4-phenylpiperidin-4-yl)-(4-methylpiperazin-1-yl)methanone?
The InChIKey is VMFLTKGYEMLRHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O/c1-25-16-18-27(19-17-25)23(28)24(22-10-6-3-7-11-22)12-14-26(15-13-24)20-21-8-4-2-5-9-21/h2-11H,12-20H2,1H3.
What are the key properties of (1-benzyl-4-phenylpiperidin-4-yl)-(4-methylpiperazin-1-yl)methanone?
(1-benzyl-4-phenylpiperidin-4-yl)-(4-methylpiperazin-1-yl)methanone has a molecular weight of 377.53 g/mol, XLogP of 2.99, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzyl-4-phenylpiperidin-4-yl)-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 59395182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).