1-[4-[(1R,2R)-2-(4-phenylmethoxyphenyl)cyclopropanecarbonyl]piperazin-1-yl]ethanone

C23H26N2O3 — CID 166287114

IUPAC1-[4-[(1R,2R)-2-(4-phenylmethoxyphenyl)cyclopropanecarbonyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)[C@@H]2C[C@H]2c2ccc(OCc3ccccc3)cc2)CC1
InChIInChI=1S/C23H26N2O3/c1-17(26)24-11-13-25(14-12-24)23(27)22-15-21(22)19-7-9-20(10-8-19)28-16-18-5-3-2-4-6-18/h2-10,21-22H,11-16H2,1H3/t21-,22+/m0/s1
InChIKeyQQHFYFRPFYLMSH-FCHUYYIVSA-N
MW378.47 g/mol
LogP3.06
Rot. Bonds5

About 1-[4-[(1R,2R)-2-(4-phenylmethoxyphenyl)cyclopropanecarbonyl]piperazin-1-yl]ethanone

1-[4-[(1R,2R)-2-(4-phenylmethoxyphenyl)cyclopropanecarbonyl]piperazin-1-yl]ethanone (PubChem CID 166287114) has the molecular formula C23H26N2O3 and a molecular weight of 378.47 g/mol. Its IUPAC name is 1-[4-[(1R,2R)-2-(4-phenylmethoxyphenyl)cyclopropanecarbonyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[(1R,2R)-2-(4-phenylmethoxyphenyl)cyclopropanecarbonyl]piperazin-1-yl]ethanone
PubChem CID166287114
Molecular FormulaC23H26N2O3
Molecular Weight378.47 g/mol
Exact Mass378.19
IUPAC Name1-[4-[(1R,2R)-2-(4-phenylmethoxyphenyl)cyclopropanecarbonyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)[C@@H]2C[C@H]2c2ccc(OCc3ccccc3)cc2)CC1
InChIInChI=1S/C23H26N2O3/c1-17(26)24-11-13-25(14-12-24)23(27)22-15-21(22)19-7-9-20(10-8-19)28-16-18-5-3-2-4-6-18/h2-10,21-22H,11-16H2,1H3/t21-,22+/m0/s1
InChIKeyQQHFYFRPFYLMSH-FCHUYYIVSA-N
XLogP3.06
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[4-[(1R,2R)-2-(4-phenylmethoxyphenyl)cyclopropanecarbonyl]piperazin-1-yl]ethanone with MolForge

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Related Compounds

(2S)-4-[(1S,2S)-2-(4-phenylmethoxyphenyl)cyclopropanecarbonyl]morpholine-2-carboxylic acid
CID 125153479
3-(hydroxymethyl)-1-[(1R,2R)-2-(4-phenylmethoxyphenyl)cyclopropanecarbonyl]pyrrolidine-3-carboxylic acid
CID 166307589
2-[(2R)-4-[(1S,2R)-2-(4-phenylmethoxyphenyl)cyclopropanecarbonyl]morpholin-2-yl]acetic acid
CID 125134084
N-methyl-2-(4-phenylmethoxyphenyl)cyclopropane-1-carboxamide
CID 56787945
trans-ethyl (1R,2R)-2-(4-phenylmethoxyphenyl)cyclopropane-1-carboxylate
CID 66714771
[2-(1-aminoethyl)piperidin-1-yl]-[2-(4-phenylmethoxyphenyl)cyclopropyl]methanone;hydrochloride
CID 119435721
1-[(2R)-2-methylcyclopropyl]-4-phenylmethoxybenzene
CID 121309338
4-acetyl-N-(4-phenylmethoxyphenyl)piperazine-1-carboxamide
CID 108988713
ethane;1-[2-[4-[(4-fluorophenyl)methoxy]phenyl]cyclopropyl]ethanone
CID 145400535
cis-(1S,3R)-3-[[2-(4-phenylmethoxyphenyl)cyclopropanecarbonyl]amino]cyclopentane-1-carboxylic acid
CID 120674882
N-(3-aminopropyl)-2-(4-phenylmethoxyphenyl)cyclopropane-1-carboxamide
CID 119406404
N-(3-aminobutyl)-2-(4-phenylmethoxyphenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119496644

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(1R,2R)-2-(4-phenylmethoxyphenyl)cyclopropanecarbonyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[(1R,2R)-2-(4-phenylmethoxyphenyl)cyclopropanecarbonyl]piperazin-1-yl]ethanone (CID 166287114) is 1-[4-[(1R,2R)-2-(4-phenylmethoxyphenyl)cyclopropanecarbonyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[(1R,2R)-2-(4-phenylmethoxyphenyl)cyclopropanecarbonyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[(1R,2R)-2-(4-phenylmethoxyphenyl)cyclopropanecarbonyl]piperazin-1-yl]ethanone is CC(=O)N1CCN(C(=O)[C@@H]2C[C@H]2c2ccc(OCc3ccccc3)cc2)CC1.
What is the InChIKey of 1-[4-[(1R,2R)-2-(4-phenylmethoxyphenyl)cyclopropanecarbonyl]piperazin-1-yl]ethanone?
The InChIKey is QQHFYFRPFYLMSH-FCHUYYIVSA-N. The full InChI is InChI=1S/C23H26N2O3/c1-17(26)24-11-13-25(14-12-24)23(27)22-15-21(22)19-7-9-20(10-8-19)28-16-18-5-3-2-4-6-18/h2-10,21-22H,11-16H2,1H3/t21-,22+/m0/s1.
What are the key properties of 1-[4-[(1R,2R)-2-(4-phenylmethoxyphenyl)cyclopropanecarbonyl]piperazin-1-yl]ethanone?
1-[4-[(1R,2R)-2-(4-phenylmethoxyphenyl)cyclopropanecarbonyl]piperazin-1-yl]ethanone has a molecular weight of 378.47 g/mol, XLogP of 3.06, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(1R,2R)-2-(4-phenylmethoxyphenyl)cyclopropanecarbonyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 166287114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).