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

C21H29N3O2 — CID 109131851

IUPAC[2-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]cyclopropyl]-pyrrolidin-1-ylmethanone
SMILESCc1cccc(N2CCN(C(=O)C3CC3C(=O)N3CCCC3)CC2)c1C
InChIInChI=1S/C21H29N3O2/c1-15-6-5-7-19(16(15)2)22-10-12-24(13-11-22)21(26)18-14-17(18)20(25)23-8-3-4-9-23/h5-7,17-18H,3-4,8-14H2,1-2H3
InChIKeyCWKCLIHFEPDFNT-UHFFFAOYSA-N
MW355.48 g/mol
LogP2.21
Rot. Bonds3

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

[2-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]cyclopropyl]-pyrrolidin-1-ylmethanone (PubChem CID 109131851) has the molecular formula C21H29N3O2 and a molecular weight of 355.48 g/mol. Its IUPAC name is [2-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]cyclopropyl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[2-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]cyclopropyl]-pyrrolidin-1-ylmethanone
PubChem CID109131851
Molecular FormulaC21H29N3O2
Molecular Weight355.48 g/mol
Exact Mass355.23
IUPAC Name[2-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]cyclopropyl]-pyrrolidin-1-ylmethanone
SMILESCc1cccc(N2CCN(C(=O)C3CC3C(=O)N3CCCC3)CC2)c1C
InChIInChI=1S/C21H29N3O2/c1-15-6-5-7-19(16(15)2)22-10-12-24(13-11-22)21(26)18-14-17(18)20(25)23-8-3-4-9-23/h5-7,17-18H,3-4,8-14H2,1-2H3
InChIKeyCWKCLIHFEPDFNT-UHFFFAOYSA-N
XLogP2.21
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-2-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide
CID 109139052
trans-(1S,2S)-2-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 753081
2-bicyclo[2.2.1]heptanyl-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
CID 3117541
1-(azepan-1-yl)-3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2,2-dimethylpropane-1,3-dione
CID 108965457
azepan-1-yl-[1-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]cyclopropyl]methanone
CID 108978812
[4-(2,3-dimethylphenyl)piperazin-1-yl]-(thiolan-2-yl)methanone
CID 110854393
[4-(2,3-dimethylphenyl)piperazin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone
CID 93266197
azepan-1-yl-[2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]cyclopropyl]methanone
CID 109139041
[2-[4-(3-methylphenyl)piperazine-1-carbonyl]cyclopropyl]-pyrrolidin-1-ylmethanone
CID 109131849
(4S)-4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-1-(2-methylphenyl)pyrrolidin-2-one
CID 8548976
[(2R)-2,5-dihydro-1H-pyrrol-2-yl]-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
CID 125443903
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-methylpropan-1-one
CID 897293

Frequently Asked Questions

What is the IUPAC name of [2-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]cyclopropyl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [2-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]cyclopropyl]-pyrrolidin-1-ylmethanone (CID 109131851) is [2-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]cyclopropyl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [2-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]cyclopropyl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [2-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]cyclopropyl]-pyrrolidin-1-ylmethanone is Cc1cccc(N2CCN(C(=O)C3CC3C(=O)N3CCCC3)CC2)c1C.
What is the InChIKey of [2-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]cyclopropyl]-pyrrolidin-1-ylmethanone?
The InChIKey is CWKCLIHFEPDFNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O2/c1-15-6-5-7-19(16(15)2)22-10-12-24(13-11-22)21(26)18-14-17(18)20(25)23-8-3-4-9-23/h5-7,17-18H,3-4,8-14H2,1-2H3.
What are the key properties of [2-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]cyclopropyl]-pyrrolidin-1-ylmethanone?
[2-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]cyclopropyl]-pyrrolidin-1-ylmethanone has a molecular weight of 355.48 g/mol, XLogP of 2.21, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]cyclopropyl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 109131851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).