(2-methylpiperazin-1-yl)-[1-[1-(3-phenylpropyl)piperidin-4-yl]piperidin-4-yl]methanone;dihydrochloride

C25H42Cl2N4O — CID 154896164

IUPAC(2-methylpiperazin-1-yl)-[1-[1-(3-phenylpropyl)piperidin-4-yl]piperidin-4-yl]methanone;dihydrochloride
SMILESCC1CNCCN1C(=O)C1CCN(C2CCN(CCCc3ccccc3)CC2)CC1.Cl.Cl
InChIInChI=1S/C25H40N4O.2ClH/c1-21-20-26-13-19-29(21)25(30)23-9-17-28(18-10-23)24-11-15-27(16-12-24)14-5-8-22-6-3-2-4-7-22;;/h2-4,6-7,21,23-24,26H,5,8-20H2,1H3;2*1H
InChIKeyXNVCWXFKYQPQPO-UHFFFAOYSA-N
MW485.54 g/mol
LogP3.46
Rot. Bonds6

About (2-methylpiperazin-1-yl)-[1-[1-(3-phenylpropyl)piperidin-4-yl]piperidin-4-yl]methanone;dihydrochloride

(2-methylpiperazin-1-yl)-[1-[1-(3-phenylpropyl)piperidin-4-yl]piperidin-4-yl]methanone;dihydrochloride (PubChem CID 154896164) has the molecular formula C25H42Cl2N4O and a molecular weight of 485.54 g/mol. Its IUPAC name is (2-methylpiperazin-1-yl)-[1-[1-(3-phenylpropyl)piperidin-4-yl]piperidin-4-yl]methanone;dihydrochloride.

Molecular Properties

Compound Name(2-methylpiperazin-1-yl)-[1-[1-(3-phenylpropyl)piperidin-4-yl]piperidin-4-yl]methanone;dihydrochloride
PubChem CID154896164
Molecular FormulaC25H42Cl2N4O
Molecular Weight485.54 g/mol
Exact Mass484.27
IUPAC Name(2-methylpiperazin-1-yl)-[1-[1-(3-phenylpropyl)piperidin-4-yl]piperidin-4-yl]methanone;dihydrochloride
SMILESCC1CNCCN1C(=O)C1CCN(C2CCN(CCCc3ccccc3)CC2)CC1.Cl.Cl
InChIInChI=1S/C25H40N4O.2ClH/c1-21-20-26-13-19-29(21)25(30)23-9-17-28(18-10-23)24-11-15-27(16-12-24)14-5-8-22-6-3-2-4-7-22;;/h2-4,6-7,21,23-24,26H,5,8-20H2,1H3;2*1H
InChIKeyXNVCWXFKYQPQPO-UHFFFAOYSA-N
XLogP3.46
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.54
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2-methylpiperazin-1-yl)-[1-[1-(3-phenylpropyl)piperidin-4-yl]piperidin-4-yl]methanone;dihydrochloride 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

1-[4-(2-methylpiperazine-1-carbonyl)piperidin-1-yl]-3-phenylpropan-1-one
CID 119470130
N-(1-cyclopropylethyl)-1-[1-(3-phenylpropyl)piperidin-4-yl]piperidine-4-carboxamide
CID 45220804
(1-benzoylpiperidin-4-yl)-(2-methylpiperazin-1-yl)methanone;hydrochloride
CID 119472389
N-[(3R)-2-oxopyrrolidin-3-yl]-1-[1-(3-phenylpropyl)piperidin-4-yl]piperidine-4-carboxamide
CID 96582167
N-(3-methoxypropyl)-1-[1-(3-phenylpropyl)piperidin-4-yl]piperidine-4-carboxamide
CID 28767990
N,N-diethyl-1-(3-phenylpropyl)piperidine-4-carboxamide
CID 795749
1-(2-methylpiperazin-1-yl)-2-(3-phenylpropylsulfonyl)ethanone;hydrochloride
CID 119472033
methyl 1-(4-phenylbutyl)piperidine-4-carboxylate
CID 114334475
1-(2-methylpiperazin-1-yl)-4-(2-phenylethoxy)butan-1-one
CID 119471180
N-[[(2R)-1,4-dioxan-2-yl]methyl]-N-methyl-1-[1-(3-phenylpropyl)piperidin-4-yl]piperidine-4-carboxamide
CID 29026459
1-cyclopentyl-4-(3-phenylpropyl)piperazine;dihydrochloride
CID 66985098
1-(2-methoxyphenyl)-4-[1-(3-phenylpropyl)piperidin-4-yl]piperazine;oxalic acid
CID 17369301

Frequently Asked Questions

What is the IUPAC name of (2-methylpiperazin-1-yl)-[1-[1-(3-phenylpropyl)piperidin-4-yl]piperidin-4-yl]methanone;dihydrochloride?
The IUPAC name of (2-methylpiperazin-1-yl)-[1-[1-(3-phenylpropyl)piperidin-4-yl]piperidin-4-yl]methanone;dihydrochloride (CID 154896164) is (2-methylpiperazin-1-yl)-[1-[1-(3-phenylpropyl)piperidin-4-yl]piperidin-4-yl]methanone;dihydrochloride.
What is the SMILES notation for (2-methylpiperazin-1-yl)-[1-[1-(3-phenylpropyl)piperidin-4-yl]piperidin-4-yl]methanone;dihydrochloride?
The canonical SMILES for (2-methylpiperazin-1-yl)-[1-[1-(3-phenylpropyl)piperidin-4-yl]piperidin-4-yl]methanone;dihydrochloride is CC1CNCCN1C(=O)C1CCN(C2CCN(CCCc3ccccc3)CC2)CC1.Cl.Cl.
What is the InChIKey of (2-methylpiperazin-1-yl)-[1-[1-(3-phenylpropyl)piperidin-4-yl]piperidin-4-yl]methanone;dihydrochloride?
The InChIKey is XNVCWXFKYQPQPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H40N4O.2ClH/c1-21-20-26-13-19-29(21)25(30)23-9-17-28(18-10-23)24-11-15-27(16-12-24)14-5-8-22-6-3-2-4-7-22;;/h2-4,6-7,21,23-24,26H,5,8-20H2,1H3;2*1H.
What are the key properties of (2-methylpiperazin-1-yl)-[1-[1-(3-phenylpropyl)piperidin-4-yl]piperidin-4-yl]methanone;dihydrochloride?
(2-methylpiperazin-1-yl)-[1-[1-(3-phenylpropyl)piperidin-4-yl]piperidin-4-yl]methanone;dihydrochloride has a molecular weight of 485.54 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylpiperazin-1-yl)-[1-[1-(3-phenylpropyl)piperidin-4-yl]piperidin-4-yl]methanone;dihydrochloride is sourced from PubChem (CID 154896164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).