[4-[(4-benzylpiperazin-1-yl)methyl]phenyl]-(4-methylpiperidin-1-yl)methanone

C25H33N3O — CID 126191918

IUPAC[4-[(4-benzylpiperazin-1-yl)methyl]phenyl]-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2ccc(CN3CCN(Cc4ccccc4)CC3)cc2)CC1
InChIInChI=1S/C25H33N3O/c1-21-11-13-28(14-12-21)25(29)24-9-7-23(8-10-24)20-27-17-15-26(16-18-27)19-22-5-3-2-4-6-22/h2-10,21H,11-20H2,1H3
InChIKeyOHNPJMPXKFUWFR-UHFFFAOYSA-N
MW391.56 g/mol
LogP3.88
Rot. Bonds5

About [4-[(4-benzylpiperazin-1-yl)methyl]phenyl]-(4-methylpiperidin-1-yl)methanone

[4-[(4-benzylpiperazin-1-yl)methyl]phenyl]-(4-methylpiperidin-1-yl)methanone (PubChem CID 126191918) has the molecular formula C25H33N3O and a molecular weight of 391.56 g/mol. Its IUPAC name is [4-[(4-benzylpiperazin-1-yl)methyl]phenyl]-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[4-[(4-benzylpiperazin-1-yl)methyl]phenyl]-(4-methylpiperidin-1-yl)methanone
PubChem CID126191918
Molecular FormulaC25H33N3O
Molecular Weight391.56 g/mol
Exact Mass391.26
IUPAC Name[4-[(4-benzylpiperazin-1-yl)methyl]phenyl]-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2ccc(CN3CCN(Cc4ccccc4)CC3)cc2)CC1
InChIInChI=1S/C25H33N3O/c1-21-11-13-28(14-12-21)25(29)24-9-7-23(8-10-24)20-27-17-15-26(16-18-27)19-22-5-3-2-4-6-22/h2-10,21H,11-20H2,1H3
InChIKeyOHNPJMPXKFUWFR-UHFFFAOYSA-N
XLogP3.88
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.56
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-methylpiperidin-1-yl)-[4-[(4-phenylpiperazin-1-yl)methyl]phenyl]methanone
CID 1137062
1-(4-benzylpiperazin-1-yl)-2-(4-methylpiperidin-1-yl)ethane-1,2-dione
CID 108504526
methyl 1-[4-[(4-methylpiperidin-1-yl)methyl]benzoyl]piperidine-4-carboxylate
CID 43908385
1-(4-benzylpiperazin-1-yl)-3-(4-methylpiperidin-1-yl)propane-1,3-dione
CID 108942723
[4-[(4-benzylpiperazin-1-yl)methyl]piperidin-1-yl]-phenylmethanone
CID 110284785
[3-(4-benzylpiperazin-1-yl)sulfonylphenyl]-(4-methylpiperidin-1-yl)methanone
CID 29262036
[4-[(4-benzylpiperidin-1-yl)methyl]phenyl]-(4-ethylpiperazin-1-yl)methanone
CID 46043505
[4-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]phenyl]-(4-methylpiperidin-1-yl)methanone
CID 43920450
(4-methylpiperidin-1-yl)-[4-(phenylsulfanylmethyl)phenyl]methanone
CID 17312948
N-benzyl-4-[(4-methylpiperidin-1-yl)methyl]benzamide
CID 43918767
(4-benzyl-1,4-diazepan-1-yl)-(4-methylphenyl)methanone
CID 23738787
[4-[(4-benzylpiperidin-1-yl)methyl]phenyl]-piperidin-1-ylmethanone
CID 1354348

Frequently Asked Questions

What is the IUPAC name of [4-[(4-benzylpiperazin-1-yl)methyl]phenyl]-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of [4-[(4-benzylpiperazin-1-yl)methyl]phenyl]-(4-methylpiperidin-1-yl)methanone (CID 126191918) is [4-[(4-benzylpiperazin-1-yl)methyl]phenyl]-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [4-[(4-benzylpiperazin-1-yl)methyl]phenyl]-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for [4-[(4-benzylpiperazin-1-yl)methyl]phenyl]-(4-methylpiperidin-1-yl)methanone is CC1CCN(C(=O)c2ccc(CN3CCN(Cc4ccccc4)CC3)cc2)CC1.
What is the InChIKey of [4-[(4-benzylpiperazin-1-yl)methyl]phenyl]-(4-methylpiperidin-1-yl)methanone?
The InChIKey is OHNPJMPXKFUWFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O/c1-21-11-13-28(14-12-21)25(29)24-9-7-23(8-10-24)20-27-17-15-26(16-18-27)19-22-5-3-2-4-6-22/h2-10,21H,11-20H2,1H3.
What are the key properties of [4-[(4-benzylpiperazin-1-yl)methyl]phenyl]-(4-methylpiperidin-1-yl)methanone?
[4-[(4-benzylpiperazin-1-yl)methyl]phenyl]-(4-methylpiperidin-1-yl)methanone has a molecular weight of 391.56 g/mol, XLogP of 3.88, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-benzylpiperazin-1-yl)methyl]phenyl]-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 126191918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).