4-phenyl-1-[4-(piperidine-3-carbonyl)piperazin-1-yl]butan-1-one;hydrochloride

C20H30ClN3O2 — CID 119312368

IUPAC4-phenyl-1-[4-(piperidine-3-carbonyl)piperazin-1-yl]butan-1-one;hydrochloride
SMILESCl.O=C(CCCc1ccccc1)N1CCN(C(=O)C2CCCNC2)CC1
InChIInChI=1S/C20H29N3O2.ClH/c24-19(10-4-8-17-6-2-1-3-7-17)22-12-14-23(15-13-22)20(25)18-9-5-11-21-16-18;/h1-3,6-7,18,21H,4-5,8-16H2;1H
InChIKeyWRVJGKGQLJXEEJ-UHFFFAOYSA-N
MW379.93 g/mol
LogP2.10
Rot. Bonds5

About 4-phenyl-1-[4-(piperidine-3-carbonyl)piperazin-1-yl]butan-1-one;hydrochloride

4-phenyl-1-[4-(piperidine-3-carbonyl)piperazin-1-yl]butan-1-one;hydrochloride (PubChem CID 119312368) has the molecular formula C20H30ClN3O2 and a molecular weight of 379.93 g/mol. Its IUPAC name is 4-phenyl-1-[4-(piperidine-3-carbonyl)piperazin-1-yl]butan-1-one;hydrochloride.

Molecular Properties

Compound Name4-phenyl-1-[4-(piperidine-3-carbonyl)piperazin-1-yl]butan-1-one;hydrochloride
PubChem CID119312368
Molecular FormulaC20H30ClN3O2
Molecular Weight379.93 g/mol
Exact Mass379.20
IUPAC Name4-phenyl-1-[4-(piperidine-3-carbonyl)piperazin-1-yl]butan-1-one;hydrochloride
SMILESCl.O=C(CCCc1ccccc1)N1CCN(C(=O)C2CCCNC2)CC1
InChIInChI=1S/C20H29N3O2.ClH/c24-19(10-4-8-17-6-2-1-3-7-17)22-12-14-23(15-13-22)20(25)18-9-5-11-21-16-18;/h1-3,6-7,18,21H,4-5,8-16H2;1H
InChIKeyWRVJGKGQLJXEEJ-UHFFFAOYSA-N
XLogP2.10
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.93
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-phenyl-1-[4-(piperidine-3-carbonyl)piperazin-1-yl]butan-1-one;hydrochloride 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-phenyl-1-[(2S)-2-(pyrrolidine-1-carbonyl)piperazin-1-yl]butan-1-one
CID 95717871
1-[4-(cyclopent-3-ene-1-carbonyl)-1,4-diazepan-1-yl]-4-phenylbutan-1-one
CID 137336213
2-(4-methylphenyl)-1-[4-(piperidine-3-carbonyl)piperazin-1-yl]ethanone
CID 119314469
(4-phenyl-1,4-diazepan-1-yl)-piperidin-3-ylmethanone;dihydrochloride
CID 119860749
N-benzyl-1-[(3R)-piperidine-3-carbonyl]piperidine-4-carboxamide
CID 99843263
benzyl formate;piperidin-3-yl(pyrrolidin-1-yl)methanone
CID 142544964
[4-(2-chlorophenyl)piperazin-1-yl]-piperidin-3-ylmethanone;dihydrochloride
CID 119827676
1-[4-(4-hydroxypyrrolidine-2-carbonyl)piperazin-1-yl]-4-phenylbutan-1-one
CID 119764298
1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2-phenylethanone
CID 110364750
1-(4-phenylbutanoyl)piperidine-3-carboxylic acid
CID 43119516
N-phenyl-2-[4-(piperidine-3-carbonyl)piperazin-1-yl]acetamide;dihydrochloride
CID 119840821
3-(4-methoxyphenyl)-1-[4-(pyrrolidine-3-carbonyl)piperazin-1-yl]propan-1-one;hydrochloride
CID 119754727

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-1-[4-(piperidine-3-carbonyl)piperazin-1-yl]butan-1-one;hydrochloride?
The IUPAC name of 4-phenyl-1-[4-(piperidine-3-carbonyl)piperazin-1-yl]butan-1-one;hydrochloride (CID 119312368) is 4-phenyl-1-[4-(piperidine-3-carbonyl)piperazin-1-yl]butan-1-one;hydrochloride.
What is the SMILES notation for 4-phenyl-1-[4-(piperidine-3-carbonyl)piperazin-1-yl]butan-1-one;hydrochloride?
The canonical SMILES for 4-phenyl-1-[4-(piperidine-3-carbonyl)piperazin-1-yl]butan-1-one;hydrochloride is Cl.O=C(CCCc1ccccc1)N1CCN(C(=O)C2CCCNC2)CC1.
What is the InChIKey of 4-phenyl-1-[4-(piperidine-3-carbonyl)piperazin-1-yl]butan-1-one;hydrochloride?
The InChIKey is WRVJGKGQLJXEEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2.ClH/c24-19(10-4-8-17-6-2-1-3-7-17)22-12-14-23(15-13-22)20(25)18-9-5-11-21-16-18;/h1-3,6-7,18,21H,4-5,8-16H2;1H.
What are the key properties of 4-phenyl-1-[4-(piperidine-3-carbonyl)piperazin-1-yl]butan-1-one;hydrochloride?
4-phenyl-1-[4-(piperidine-3-carbonyl)piperazin-1-yl]butan-1-one;hydrochloride has a molecular weight of 379.93 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-1-[4-(piperidine-3-carbonyl)piperazin-1-yl]butan-1-one;hydrochloride is sourced from PubChem (CID 119312368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).