2-(2-methylcyclopropyl)-1-[4-(3-pyrrolidin-1-ylbenzoyl)piperazin-1-yl]ethanone

C21H29N3O2 — CID 167812342

IUPAC2-(2-methylcyclopropyl)-1-[4-(3-pyrrolidin-1-ylbenzoyl)piperazin-1-yl]ethanone
SMILESCC1CC1CC(=O)N1CCN(C(=O)c2cccc(N3CCCC3)c2)CC1
InChIInChI=1S/C21H29N3O2/c1-16-13-18(16)15-20(25)23-9-11-24(12-10-23)21(26)17-5-4-6-19(14-17)22-7-2-3-8-22/h4-6,14,16,18H,2-3,7-13,15H2,1H3
InChIKeyXWRSTTZSCLSEDN-UHFFFAOYSA-N
MW355.48 g/mol
LogP2.62
Rot. Bonds4

About 2-(2-methylcyclopropyl)-1-[4-(3-pyrrolidin-1-ylbenzoyl)piperazin-1-yl]ethanone

2-(2-methylcyclopropyl)-1-[4-(3-pyrrolidin-1-ylbenzoyl)piperazin-1-yl]ethanone (PubChem CID 167812342) has the molecular formula C21H29N3O2 and a molecular weight of 355.48 g/mol. Its IUPAC name is 2-(2-methylcyclopropyl)-1-[4-(3-pyrrolidin-1-ylbenzoyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-methylcyclopropyl)-1-[4-(3-pyrrolidin-1-ylbenzoyl)piperazin-1-yl]ethanone
PubChem CID167812342
Molecular FormulaC21H29N3O2
Molecular Weight355.48 g/mol
Exact Mass355.23
IUPAC Name2-(2-methylcyclopropyl)-1-[4-(3-pyrrolidin-1-ylbenzoyl)piperazin-1-yl]ethanone
SMILESCC1CC1CC(=O)N1CCN(C(=O)c2cccc(N3CCCC3)c2)CC1
InChIInChI=1S/C21H29N3O2/c1-16-13-18(16)15-20(25)23-9-11-24(12-10-23)21(26)17-5-4-6-19(14-17)22-7-2-3-8-22/h4-6,14,16,18H,2-3,7-13,15H2,1H3
InChIKeyXWRSTTZSCLSEDN-UHFFFAOYSA-N
XLogP2.62
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-ethylsulfonylpiperidin-1-yl)-(3-pyrrolidin-1-ylphenyl)methanone
CID 136553816
(3-methylphenyl)-[4-(4-pyrrolidin-1-ylphenyl)piperazin-1-yl]methanone
CID 113078901
(3-piperazin-1-ylphenyl)-piperidin-1-ylmethanone
CID 28748938
[4-(3-methylphenyl)piperazin-1-yl]-(4-pyrrolidin-1-ylphenyl)methanone
CID 110295146
2-[1-(3-aminobenzoyl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone
CID 119735039
[3-[4-(3-chlorophenyl)piperazine-1-carbonyl]phenyl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 1069884
morpholin-4-yl-(3-morpholin-4-ylphenyl)methanone
CID 22057964
(3-fluorophenyl)-[4-(4-pyrrolidin-1-ylphenyl)piperazin-1-yl]methanone
CID 113078904
2-(1-benzoylpiperidin-4-yl)-1-(4-phenylpiperazin-1-yl)ethanone
CID 46294968
1-(3-piperidin-1-ylphenyl)propan-1-one;hydrochloride
CID 21114970
[4-(3-fluorobenzoyl)piperazin-1-yl]-(4-pyrrolidin-1-ylphenyl)methanone
CID 110347138
2-(2-bicyclo[2.2.1]heptanyl)-1-[4-(3-fluorobenzoyl)piperazin-1-yl]ethanone
CID 47024463

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylcyclopropyl)-1-[4-(3-pyrrolidin-1-ylbenzoyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(2-methylcyclopropyl)-1-[4-(3-pyrrolidin-1-ylbenzoyl)piperazin-1-yl]ethanone (CID 167812342) is 2-(2-methylcyclopropyl)-1-[4-(3-pyrrolidin-1-ylbenzoyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(2-methylcyclopropyl)-1-[4-(3-pyrrolidin-1-ylbenzoyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(2-methylcyclopropyl)-1-[4-(3-pyrrolidin-1-ylbenzoyl)piperazin-1-yl]ethanone is CC1CC1CC(=O)N1CCN(C(=O)c2cccc(N3CCCC3)c2)CC1.
What is the InChIKey of 2-(2-methylcyclopropyl)-1-[4-(3-pyrrolidin-1-ylbenzoyl)piperazin-1-yl]ethanone?
The InChIKey is XWRSTTZSCLSEDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O2/c1-16-13-18(16)15-20(25)23-9-11-24(12-10-23)21(26)17-5-4-6-19(14-17)22-7-2-3-8-22/h4-6,14,16,18H,2-3,7-13,15H2,1H3.
What are the key properties of 2-(2-methylcyclopropyl)-1-[4-(3-pyrrolidin-1-ylbenzoyl)piperazin-1-yl]ethanone?
2-(2-methylcyclopropyl)-1-[4-(3-pyrrolidin-1-ylbenzoyl)piperazin-1-yl]ethanone has a molecular weight of 355.48 g/mol, XLogP of 2.62, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylcyclopropyl)-1-[4-(3-pyrrolidin-1-ylbenzoyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 167812342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).