[2-[4-(3-methylphenyl)piperazine-1-carbonyl]cyclopropyl]-pyrrolidin-1-ylmethanone

C20H27N3O2 — CID 109131849

IUPAC[2-[4-(3-methylphenyl)piperazine-1-carbonyl]cyclopropyl]-pyrrolidin-1-ylmethanone
SMILESCc1cccc(N2CCN(C(=O)C3CC3C(=O)N3CCCC3)CC2)c1
InChIInChI=1S/C20H27N3O2/c1-15-5-4-6-16(13-15)21-9-11-23(12-10-21)20(25)18-14-17(18)19(24)22-7-2-3-8-22/h4-6,13,17-18H,2-3,7-12,14H2,1H3
InChIKeyJMVLYOQQSWUSIL-UHFFFAOYSA-N
MW341.45 g/mol
LogP1.90
Rot. Bonds3

About [2-[4-(3-methylphenyl)piperazine-1-carbonyl]cyclopropyl]-pyrrolidin-1-ylmethanone

[2-[4-(3-methylphenyl)piperazine-1-carbonyl]cyclopropyl]-pyrrolidin-1-ylmethanone (PubChem CID 109131849) has the molecular formula C20H27N3O2 and a molecular weight of 341.45 g/mol. Its IUPAC name is [2-[4-(3-methylphenyl)piperazine-1-carbonyl]cyclopropyl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[2-[4-(3-methylphenyl)piperazine-1-carbonyl]cyclopropyl]-pyrrolidin-1-ylmethanone
PubChem CID109131849
Molecular FormulaC20H27N3O2
Molecular Weight341.45 g/mol
Exact Mass341.21
IUPAC Name[2-[4-(3-methylphenyl)piperazine-1-carbonyl]cyclopropyl]-pyrrolidin-1-ylmethanone
SMILESCc1cccc(N2CCN(C(=O)C3CC3C(=O)N3CCCC3)CC2)c1
InChIInChI=1S/C20H27N3O2/c1-15-5-4-6-16(13-15)21-9-11-23(12-10-21)20(25)18-14-17(18)19(24)22-7-2-3-8-22/h4-6,13,17-18H,2-3,7-12,14H2,1H3
InChIKeyJMVLYOQQSWUSIL-UHFFFAOYSA-N
XLogP1.90
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(3-methylphenyl)piperazin-1-yl]-[2-(morpholine-4-carbonyl)cyclopropyl]methanone
CID 109133316
2,2-dimethyl-1-[4-(3-methylphenyl)piperazin-1-yl]-3-pyrrolidin-1-ylpropane-1,3-dione
CID 108958401
N-(2,4-dimethylphenyl)-2-[4-(3-methylphenyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide
CID 109139007
[2-(4-phenylpiperazine-1-carbonyl)cyclopropyl]-piperidin-1-ylmethanone
CID 109132218
[2-(2-chlorophenyl)cyclopropyl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 51292364
N-(4-chlorophenyl)-2-[4-(3-methylphenyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide
CID 109139020
(3,3-difluorocyclobutyl)-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 154853506
2-[4-(3-methylphenyl)piperazine-1-carbonyl]-N-(oxolan-2-ylmethyl)cyclopropane-1-carboxamide
CID 109133498
[4-(3-methylphenyl)piperazin-1-yl]-[4-(morpholine-4-carbonyl)cyclohexyl]methanone
CID 109146784
[4-(3-methylphenyl)piperazin-1-yl]-piperidin-2-ylmethanone
CID 18073007
[4-(3-methylphenyl)piperazin-1-yl]-(4-pyrrolidin-1-ylphenyl)methanone
CID 110295146
1-(3,5-dimethylpiperidin-1-yl)-2-[4-(3-methylphenyl)piperazin-1-yl]ethane-1,2-dione
CID 108520633

Frequently Asked Questions

What is the IUPAC name of [2-[4-(3-methylphenyl)piperazine-1-carbonyl]cyclopropyl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [2-[4-(3-methylphenyl)piperazine-1-carbonyl]cyclopropyl]-pyrrolidin-1-ylmethanone (CID 109131849) is [2-[4-(3-methylphenyl)piperazine-1-carbonyl]cyclopropyl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [2-[4-(3-methylphenyl)piperazine-1-carbonyl]cyclopropyl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [2-[4-(3-methylphenyl)piperazine-1-carbonyl]cyclopropyl]-pyrrolidin-1-ylmethanone is Cc1cccc(N2CCN(C(=O)C3CC3C(=O)N3CCCC3)CC2)c1.
What is the InChIKey of [2-[4-(3-methylphenyl)piperazine-1-carbonyl]cyclopropyl]-pyrrolidin-1-ylmethanone?
The InChIKey is JMVLYOQQSWUSIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-15-5-4-6-16(13-15)21-9-11-23(12-10-21)20(25)18-14-17(18)19(24)22-7-2-3-8-22/h4-6,13,17-18H,2-3,7-12,14H2,1H3.
What are the key properties of [2-[4-(3-methylphenyl)piperazine-1-carbonyl]cyclopropyl]-pyrrolidin-1-ylmethanone?
[2-[4-(3-methylphenyl)piperazine-1-carbonyl]cyclopropyl]-pyrrolidin-1-ylmethanone has a molecular weight of 341.45 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 [2-[4-(3-methylphenyl)piperazine-1-carbonyl]cyclopropyl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 109131849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).