1-butyl-4-[(1R,2R)-2-phenylcyclopropanecarbonyl]piperazin-2-one

C18H24N2O2 — CID 56754721

IUPAC1-butyl-4-[(1R,2R)-2-phenylcyclopropanecarbonyl]piperazin-2-one
SMILESCCCCN1CCN(C(=O)[C@@H]2C[C@H]2c2ccccc2)CC1=O
InChIInChI=1S/C18H24N2O2/c1-2-3-9-19-10-11-20(13-17(19)21)18(22)16-12-15(16)14-7-5-4-6-8-14/h4-8,15-16H,2-3,9-13H2,1H3/t15-,16+/m0/s1
InChIKeySZTCNOMBSDUOIQ-JKSUJKDBSA-N
MW300.40 g/mol
LogP2.26
Rot. Bonds5

About 1-butyl-4-[(1R,2R)-2-phenylcyclopropanecarbonyl]piperazin-2-one

1-butyl-4-[(1R,2R)-2-phenylcyclopropanecarbonyl]piperazin-2-one (PubChem CID 56754721) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is 1-butyl-4-[(1R,2R)-2-phenylcyclopropanecarbonyl]piperazin-2-one.

Molecular Properties

Compound Name1-butyl-4-[(1R,2R)-2-phenylcyclopropanecarbonyl]piperazin-2-one
PubChem CID56754721
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC Name1-butyl-4-[(1R,2R)-2-phenylcyclopropanecarbonyl]piperazin-2-one
SMILESCCCCN1CCN(C(=O)[C@@H]2C[C@H]2c2ccccc2)CC1=O
InChIInChI=1S/C18H24N2O2/c1-2-3-9-19-10-11-20(13-17(19)21)18(22)16-12-15(16)14-7-5-4-6-8-14/h4-8,15-16H,2-3,9-13H2,1H3/t15-,16+/m0/s1
InChIKeySZTCNOMBSDUOIQ-JKSUJKDBSA-N
XLogP2.26
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-butyl-3-oxopiperazine-1-carbonyl)amino]-2-phenylacetic acid
CID 70619630
1-butyl-4-[(3R)-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carbonyl]piperazin-2-one
CID 97207249
[4-(2-methylsulfonylethyl)piperazin-1-yl]-(2-phenylcyclopropyl)methanone
CID 110281141
1-butyl-4-[2-(2-chlorophenyl)-2-hydroxyacetyl]piperazin-2-one
CID 56709063
2-[4-[(1R,2S)-2-(2-chlorophenyl)cyclopropanecarbonyl]-2-oxopiperazin-1-yl]-N-methylacetamide
CID 95783352
2-[4-[(1R,2R)-2-(2-chlorophenyl)cyclopropanecarbonyl]-2-oxopiperazin-1-yl]-N-methylacetamide
CID 95783354
[(1S,2S)-2-phenylcyclopropyl]-piperazin-1-ylmethanone
CID 51893718
[4-(1-aminoethyl)piperidin-1-yl]-(2-phenylcyclopropyl)methanone
CID 81478205
[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-[(1R,2S)-2-phenylcyclopropyl]methanone
CID 95271676
[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-[(1R,2S)-2-phenylcyclopropyl]methanone
CID 35280818
2-[1-(2-phenylcyclopropanecarbonyl)piperidin-4-yl]acetic acid
CID 81368111
(4-hydroxy-3-methylpiperidin-1-yl)-(2-phenylcyclopropyl)methanone
CID 114501442

Frequently Asked Questions

What is the IUPAC name of 1-butyl-4-[(1R,2R)-2-phenylcyclopropanecarbonyl]piperazin-2-one?
The IUPAC name of 1-butyl-4-[(1R,2R)-2-phenylcyclopropanecarbonyl]piperazin-2-one (CID 56754721) is 1-butyl-4-[(1R,2R)-2-phenylcyclopropanecarbonyl]piperazin-2-one.
What is the SMILES notation for 1-butyl-4-[(1R,2R)-2-phenylcyclopropanecarbonyl]piperazin-2-one?
The canonical SMILES for 1-butyl-4-[(1R,2R)-2-phenylcyclopropanecarbonyl]piperazin-2-one is CCCCN1CCN(C(=O)[C@@H]2C[C@H]2c2ccccc2)CC1=O.
What is the InChIKey of 1-butyl-4-[(1R,2R)-2-phenylcyclopropanecarbonyl]piperazin-2-one?
The InChIKey is SZTCNOMBSDUOIQ-JKSUJKDBSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-2-3-9-19-10-11-20(13-17(19)21)18(22)16-12-15(16)14-7-5-4-6-8-14/h4-8,15-16H,2-3,9-13H2,1H3/t15-,16+/m0/s1.
What are the key properties of 1-butyl-4-[(1R,2R)-2-phenylcyclopropanecarbonyl]piperazin-2-one?
1-butyl-4-[(1R,2R)-2-phenylcyclopropanecarbonyl]piperazin-2-one has a molecular weight of 300.40 g/mol, XLogP of 2.26, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-4-[(1R,2R)-2-phenylcyclopropanecarbonyl]piperazin-2-one is sourced from PubChem (CID 56754721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).