2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-phenyl-1-pyrrolidin-1-ylethanone

C20H27N3O2 — CID 17477999

IUPAC2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-phenyl-1-pyrrolidin-1-ylethanone
SMILESO=C(C1CC1)N1CCN(C(C(=O)N2CCCC2)c2ccccc2)CC1
InChIInChI=1S/C20H27N3O2/c24-19(17-8-9-17)23-14-12-21(13-15-23)18(16-6-2-1-3-7-16)20(25)22-10-4-5-11-22/h1-3,6-7,17-18H,4-5,8-15H2
InChIKeyMEYUXFRROLGQOH-UHFFFAOYSA-N
MW341.45 g/mol
LogP1.90
Rot. Bonds4

About 2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-phenyl-1-pyrrolidin-1-ylethanone

2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-phenyl-1-pyrrolidin-1-ylethanone (PubChem CID 17477999) has the molecular formula C20H27N3O2 and a molecular weight of 341.45 g/mol. Its IUPAC name is 2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-phenyl-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-phenyl-1-pyrrolidin-1-ylethanone
PubChem CID17477999
Molecular FormulaC20H27N3O2
Molecular Weight341.45 g/mol
Exact Mass341.21
IUPAC Name2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-phenyl-1-pyrrolidin-1-ylethanone
SMILESO=C(C1CC1)N1CCN(C(C(=O)N2CCCC2)c2ccccc2)CC1
InChIInChI=1S/C20H27N3O2/c24-19(17-8-9-17)23-14-12-21(13-15-23)18(16-6-2-1-3-7-16)20(25)22-10-4-5-11-22/h1-3,6-7,17-18H,4-5,8-15H2
InChIKeyMEYUXFRROLGQOH-UHFFFAOYSA-N
XLogP1.90
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
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

2-phenyl-1-piperidin-1-yl-2-pyrrolidin-1-ylethanone
CID 47010733
2-(4-hydroxypiperidin-1-yl)-2-phenyl-1-piperidin-1-ylethanone
CID 43013126
4-(2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl)-N-phenylpiperazine-1-carboxamide
CID 17438630
(2S)-2-(4-benzoylpiperazin-1-yl)-2-phenyl-1-piperidin-1-ylethanone
CID 8597142
methyl (2R)-2-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2-phenylacetate
CID 95335169
2,2-diphenyl-1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethanone
CID 113002906
1-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]-N-phenylpiperidine-4-carboxamide
CID 9134665
1-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2,2-diphenylethanone
CID 108533858
2-phenyl-2-piperidin-1-yl-1-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanone
CID 46978264
1-[2-(4-methylpiperazin-1-yl)-2-phenylacetyl]piperidine-4-carboxylic acid
CID 119349525
N-methyl-N-[1-(2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl)piperidin-4-yl]methanesulfonamide
CID 48736574
tert-butyl 4-(2-oxo-1-phenyl-2-piperidin-1-ylethyl)piperazine-1-carboxylate
CID 60587742

Frequently Asked Questions

What is the IUPAC name of 2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-phenyl-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-phenyl-1-pyrrolidin-1-ylethanone (CID 17477999) is 2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-phenyl-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-phenyl-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-phenyl-1-pyrrolidin-1-ylethanone is O=C(C1CC1)N1CCN(C(C(=O)N2CCCC2)c2ccccc2)CC1.
What is the InChIKey of 2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-phenyl-1-pyrrolidin-1-ylethanone?
The InChIKey is MEYUXFRROLGQOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2/c24-19(17-8-9-17)23-14-12-21(13-15-23)18(16-6-2-1-3-7-16)20(25)22-10-4-5-11-22/h1-3,6-7,17-18H,4-5,8-15H2.
What are the key properties of 2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-phenyl-1-pyrrolidin-1-ylethanone?
2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-phenyl-1-pyrrolidin-1-ylethanone has a molecular weight of 341.45 g/mol, XLogP of 1.90, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-phenyl-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 17477999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).