1-[3-[4-(3-methylphenyl)piperazine-1-carbonyl]pyrrolidin-1-yl]propan-1-one

C19H27N3O2 — CID 136516670

IUPAC1-[3-[4-(3-methylphenyl)piperazine-1-carbonyl]pyrrolidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCC(C(=O)N2CCN(c3cccc(C)c3)CC2)C1
InChIInChI=1S/C19H27N3O2/c1-3-18(23)22-8-7-16(14-22)19(24)21-11-9-20(10-12-21)17-6-4-5-15(2)13-17/h4-6,13,16H,3,7-12,14H2,1-2H3
InChIKeyHAODXDYZFPDNDI-UHFFFAOYSA-N
MW329.44 g/mol
LogP1.90
Rot. Bonds3

About 1-[3-[4-(3-methylphenyl)piperazine-1-carbonyl]pyrrolidin-1-yl]propan-1-one

1-[3-[4-(3-methylphenyl)piperazine-1-carbonyl]pyrrolidin-1-yl]propan-1-one (PubChem CID 136516670) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is 1-[3-[4-(3-methylphenyl)piperazine-1-carbonyl]pyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[3-[4-(3-methylphenyl)piperazine-1-carbonyl]pyrrolidin-1-yl]propan-1-one
PubChem CID136516670
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Name1-[3-[4-(3-methylphenyl)piperazine-1-carbonyl]pyrrolidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCC(C(=O)N2CCN(c3cccc(C)c3)CC2)C1
InChIInChI=1S/C19H27N3O2/c1-3-18(23)22-8-7-16(14-22)19(24)21-11-9-20(10-12-21)17-6-4-5-15(2)13-17/h4-6,13,16H,3,7-12,14H2,1-2H3
InChIKeyHAODXDYZFPDNDI-UHFFFAOYSA-N
XLogP1.90
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(3-methylphenyl)piperazin-1-yl]-[4-(morpholine-4-carbonyl)cyclohexyl]methanone
CID 109146784
N-cyclopropyl-4-[4-(3-methylphenyl)piperazine-1-carbonyl]cyclohexane-1-carboxamide
CID 109144708
N-(3-methylbutyl)-4-[4-(3-methylphenyl)piperazine-1-carbonyl]cyclohexane-1-carboxamide
CID 109149372
N-butyl-N-methyl-4-[4-(3-methylphenyl)piperazine-1-carbonyl]cyclohexane-1-carboxamide
CID 109149374
(3,3-difluorocyclobutyl)-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 154853506
[4-(3-methylphenyl)piperazin-1-yl]-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone
CID 25398339
[2-[4-(3-methylphenyl)piperazine-1-carbonyl]cyclopropyl]-pyrrolidin-1-ylmethanone
CID 109131849
[4-(3-methylphenyl)piperazin-1-yl]-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]methanone
CID 71794792
[4-(3-methylphenyl)piperazin-1-yl]-[1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-4-yl]methanone
CID 24542911
[1-(3,4-dichlorobenzoyl)piperidin-3-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 55633559
1-(3-methylphenyl)piperidine-4-carboxylic acid
CID 59023368
1-[3-[4-(3-methylphenyl)piperazin-1-yl]propanoyl]piperidine-4-carboxylic acid
CID 119349672

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(3-methylphenyl)piperazine-1-carbonyl]pyrrolidin-1-yl]propan-1-one?
The IUPAC name of 1-[3-[4-(3-methylphenyl)piperazine-1-carbonyl]pyrrolidin-1-yl]propan-1-one (CID 136516670) is 1-[3-[4-(3-methylphenyl)piperazine-1-carbonyl]pyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for 1-[3-[4-(3-methylphenyl)piperazine-1-carbonyl]pyrrolidin-1-yl]propan-1-one?
The canonical SMILES for 1-[3-[4-(3-methylphenyl)piperazine-1-carbonyl]pyrrolidin-1-yl]propan-1-one is CCC(=O)N1CCC(C(=O)N2CCN(c3cccc(C)c3)CC2)C1.
What is the InChIKey of 1-[3-[4-(3-methylphenyl)piperazine-1-carbonyl]pyrrolidin-1-yl]propan-1-one?
The InChIKey is HAODXDYZFPDNDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-3-18(23)22-8-7-16(14-22)19(24)21-11-9-20(10-12-21)17-6-4-5-15(2)13-17/h4-6,13,16H,3,7-12,14H2,1-2H3.
What are the key properties of 1-[3-[4-(3-methylphenyl)piperazine-1-carbonyl]pyrrolidin-1-yl]propan-1-one?
1-[3-[4-(3-methylphenyl)piperazine-1-carbonyl]pyrrolidin-1-yl]propan-1-one has a molecular weight of 329.44 g/mol, XLogP of 1.90, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(3-methylphenyl)piperazine-1-carbonyl]pyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 136516670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).