(1-phenylcyclopropyl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone

C18H25N3O — CID 120996455

IUPAC(1-phenylcyclopropyl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone
SMILESO=C(N1CCC(N2CCNCC2)C1)C1(c2ccccc2)CC1
InChIInChI=1S/C18H25N3O/c22-17(18(7-8-18)15-4-2-1-3-5-15)21-11-6-16(14-21)20-12-9-19-10-13-20/h1-5,16,19H,6-14H2
InChIKeyHYVILTVWYWFTJZ-UHFFFAOYSA-N
MW299.42 g/mol
LogP1.22
Rot. Bonds3

About (1-phenylcyclopropyl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone

(1-phenylcyclopropyl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone (PubChem CID 120996455) has the molecular formula C18H25N3O and a molecular weight of 299.42 g/mol. Its IUPAC name is (1-phenylcyclopropyl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(1-phenylcyclopropyl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone
PubChem CID120996455
Molecular FormulaC18H25N3O
Molecular Weight299.42 g/mol
Exact Mass299.20
IUPAC Name(1-phenylcyclopropyl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone
SMILESO=C(N1CCC(N2CCNCC2)C1)C1(c2ccccc2)CC1
InChIInChI=1S/C18H25N3O/c22-17(18(7-8-18)15-4-2-1-3-5-15)21-11-6-16(14-21)20-12-9-19-10-13-20/h1-5,16,19H,6-14H2
InChIKeyHYVILTVWYWFTJZ-UHFFFAOYSA-N
XLogP1.22
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(4-chlorophenyl)cyclopropyl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride
CID 120997387
[1-(2,6-dichlorophenyl)cyclopropyl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone
CID 120995743
(1-benzylcyclopropyl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride
CID 120996210
[(3R)-3-hydroxypyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone
CID 66262419
(3-chloropyrrolidin-1-yl)-(1-phenylcyclopropyl)methanone
CID 63394917
[(3R)-3-methylpiperazin-1-yl]-(1-phenylcyclopropyl)methanone
CID 81426595
(1-phenylcyclobutyl)-piperazin-1-ylmethanone
CID 110463899
[(3S)-3-aminopyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone;hydrochloride
CID 119934201
[1-(3-bromophenyl)cyclopropyl]-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
CID 56684688
[1-(3-bromophenyl)cyclopropyl]-[(3R)-3-pyrrolidin-1-ylpyrrolidin-1-yl]methanone
CID 52877464
[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-(4-phenylpiperidin-4-yl)methanone
CID 107220719
(4-phenylcyclohexyl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride
CID 120994311

Frequently Asked Questions

What is the IUPAC name of (1-phenylcyclopropyl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone?
The IUPAC name of (1-phenylcyclopropyl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone (CID 120996455) is (1-phenylcyclopropyl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (1-phenylcyclopropyl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone?
The canonical SMILES for (1-phenylcyclopropyl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone is O=C(N1CCC(N2CCNCC2)C1)C1(c2ccccc2)CC1.
What is the InChIKey of (1-phenylcyclopropyl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone?
The InChIKey is HYVILTVWYWFTJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O/c22-17(18(7-8-18)15-4-2-1-3-5-15)21-11-6-16(14-21)20-12-9-19-10-13-20/h1-5,16,19H,6-14H2.
What are the key properties of (1-phenylcyclopropyl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone?
(1-phenylcyclopropyl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone has a molecular weight of 299.42 g/mol, XLogP of 1.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-phenylcyclopropyl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 120996455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).