bis[2-[4-(methylamino)piperidin-1-yl]phenyl]methanone

C25H34N4O — CID 152676242

IUPACbis[2-[4-(methylamino)piperidin-1-yl]phenyl]methanone
SMILESCNC1CCN(c2ccccc2C(=O)c2ccccc2N2CCC(NC)CC2)CC1
InChIInChI=1S/C25H34N4O/c1-26-19-11-15-28(16-12-19)23-9-5-3-7-21(23)25(30)22-8-4-6-10-24(22)29-17-13-20(27-2)14-18-29/h3-10,19-20,26-27H,11-18H2,1-2H3
InChIKeyZMOSUTYMNQBEEZ-UHFFFAOYSA-N
MW406.57 g/mol
LogP3.29
Rot. Bonds6

About bis[2-[4-(methylamino)piperidin-1-yl]phenyl]methanone

bis[2-[4-(methylamino)piperidin-1-yl]phenyl]methanone (PubChem CID 152676242) has the molecular formula C25H34N4O and a molecular weight of 406.57 g/mol. Its IUPAC name is bis[2-[4-(methylamino)piperidin-1-yl]phenyl]methanone.

Molecular Properties

Compound Namebis[2-[4-(methylamino)piperidin-1-yl]phenyl]methanone
PubChem CID152676242
Molecular FormulaC25H34N4O
Molecular Weight406.57 g/mol
Exact Mass406.27
IUPAC Namebis[2-[4-(methylamino)piperidin-1-yl]phenyl]methanone
SMILESCNC1CCN(c2ccccc2C(=O)c2ccccc2N2CCC(NC)CC2)CC1
InChIInChI=1S/C25H34N4O/c1-26-19-11-15-28(16-12-19)23-9-5-3-7-21(23)25(30)22-8-4-6-10-24(22)29-17-13-20(27-2)14-18-29/h3-10,19-20,26-27H,11-18H2,1-2H3
InChIKeyZMOSUTYMNQBEEZ-UHFFFAOYSA-N
XLogP3.29
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.57
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze bis[2-[4-(methylamino)piperidin-1-yl]phenyl]methanone 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

N-cyclopropyl-2-[4-(2-methylpropanoylamino)piperidin-1-yl]benzamide
CID 42848047
N-methyl-1-(2-methylsulfonylphenyl)piperidin-4-amine
CID 54923585
2-(4-aminopiperidin-1-yl)-N-cyclopropylbenzamide
CID 42656462
1-(2-carboxyphenyl)piperidine-4-carboxylic acid
CID 82537864
N-[1-[2-(cyclopropylcarbamoyl)phenyl]piperidin-4-yl]thiophene-2-carboxamide
CID 46156012
(2-chlorophenyl)-[4-(methylamino)piperidin-1-yl]methanone
CID 83728656
2-(4-phenylpiperidin-1-yl)benzoic acid
CID 125468631
1-[2-(4-ethylpiperidin-1-yl)phenyl]ethanone
CID 61420820
1-[2-(difluoromethylsulfanyl)phenyl]-N-methylpiperidin-4-amine
CID 54927801
N-methyl-1-(2-phenoxyphenyl)piperidin-4-amine
CID 43315200
N-butan-2-yl-2-[4-(2-methylpropanoylamino)piperidin-1-yl]benzamide
CID 42848022
N-[1-[2-[4-(2-chlorophenyl)piperazine-1-carbonyl]phenyl]piperidin-4-yl]acetamide
CID 42848348

Frequently Asked Questions

What is the IUPAC name of bis[2-[4-(methylamino)piperidin-1-yl]phenyl]methanone?
The IUPAC name of bis[2-[4-(methylamino)piperidin-1-yl]phenyl]methanone (CID 152676242) is bis[2-[4-(methylamino)piperidin-1-yl]phenyl]methanone.
What is the SMILES notation for bis[2-[4-(methylamino)piperidin-1-yl]phenyl]methanone?
The canonical SMILES for bis[2-[4-(methylamino)piperidin-1-yl]phenyl]methanone is CNC1CCN(c2ccccc2C(=O)c2ccccc2N2CCC(NC)CC2)CC1.
What is the InChIKey of bis[2-[4-(methylamino)piperidin-1-yl]phenyl]methanone?
The InChIKey is ZMOSUTYMNQBEEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N4O/c1-26-19-11-15-28(16-12-19)23-9-5-3-7-21(23)25(30)22-8-4-6-10-24(22)29-17-13-20(27-2)14-18-29/h3-10,19-20,26-27H,11-18H2,1-2H3.
What are the key properties of bis[2-[4-(methylamino)piperidin-1-yl]phenyl]methanone?
bis[2-[4-(methylamino)piperidin-1-yl]phenyl]methanone has a molecular weight of 406.57 g/mol, XLogP of 3.29, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis[2-[4-(methylamino)piperidin-1-yl]phenyl]methanone is sourced from PubChem (CID 152676242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).