2-naphthalen-1-yl-1-[4-[(1S,2S)-2-phenylcyclopropanecarbonyl]piperazin-1-yl]ethanone

C26H26N2O2 — CID 51896738

IUPAC2-naphthalen-1-yl-1-[4-[(1S,2S)-2-phenylcyclopropanecarbonyl]piperazin-1-yl]ethanone
SMILESO=C(Cc1cccc2ccccc12)N1CCN(C(=O)[C@H]2C[C@@H]2c2ccccc2)CC1
InChIInChI=1S/C26H26N2O2/c29-25(17-21-11-6-10-19-9-4-5-12-22(19)21)27-13-15-28(16-14-27)26(30)24-18-23(24)20-7-2-1-3-8-20/h1-12,23-24H,13-18H2/t23-,24+/m1/s1
InChIKeyQYAKSBAZODUTRA-RPWUZVMVSA-N
MW398.51 g/mol
LogP3.86
Rot. Bonds4

About 2-naphthalen-1-yl-1-[4-[(1S,2S)-2-phenylcyclopropanecarbonyl]piperazin-1-yl]ethanone

2-naphthalen-1-yl-1-[4-[(1S,2S)-2-phenylcyclopropanecarbonyl]piperazin-1-yl]ethanone (PubChem CID 51896738) has the molecular formula C26H26N2O2 and a molecular weight of 398.51 g/mol. Its IUPAC name is 2-naphthalen-1-yl-1-[4-[(1S,2S)-2-phenylcyclopropanecarbonyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-naphthalen-1-yl-1-[4-[(1S,2S)-2-phenylcyclopropanecarbonyl]piperazin-1-yl]ethanone
PubChem CID51896738
Molecular FormulaC26H26N2O2
Molecular Weight398.51 g/mol
Exact Mass398.20
IUPAC Name2-naphthalen-1-yl-1-[4-[(1S,2S)-2-phenylcyclopropanecarbonyl]piperazin-1-yl]ethanone
SMILESO=C(Cc1cccc2ccccc12)N1CCN(C(=O)[C@H]2C[C@@H]2c2ccccc2)CC1
InChIInChI=1S/C26H26N2O2/c29-25(17-21-11-6-10-19-9-4-5-12-22(19)21)27-13-15-28(16-14-27)26(30)24-18-23(24)20-7-2-1-3-8-20/h1-12,23-24H,13-18H2/t23-,24+/m1/s1
InChIKeyQYAKSBAZODUTRA-RPWUZVMVSA-N
XLogP3.86
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-naphthalen-1-yl-1-pyrrolidin-1-ylethanone
CID 905345
2-indol-1-yl-1-[4-[(1S,2R)-2-phenylcyclopropanecarbonyl]piperazin-1-yl]ethanone
CID 98958440
2-indol-1-yl-1-[4-[(1S,2S)-2-phenylcyclopropanecarbonyl]piperazin-1-yl]ethanone
CID 98958441
1-[4-[(1S,2S)-2-naphthalen-1-ylcyclopropanecarbonyl]piperazin-1-yl]ethanone
CID 97025073
1-[4-(benzenesulfonyl)piperazin-1-yl]-2-naphthalen-1-ylethanone
CID 7921209
1-(1,1-dioxo-7-phenyl-1,4-thiazepan-4-yl)-2-naphthalen-1-ylethanone
CID 121021514
[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-[(1R,2S)-2-phenylcyclopropyl]methanone
CID 35280818
2-(4-hydroxyphenyl)sulfanyl-1-[4-[(1R,2R)-2-phenylcyclopropanecarbonyl]piperazin-1-yl]ethanone
CID 164556692
[(1S,2S)-2-phenylcyclopropyl]-piperazin-1-ylmethanone
CID 51893718
1-[4-[(1S,2S)-2-naphthalen-1-ylcyclopropanecarbonyl]-1,4-diazepan-1-yl]ethanone
CID 97093023
2-(3-hydroxyphenoxy)-1-[4-[(1R,2R)-2-phenylcyclopropanecarbonyl]piperazin-1-yl]ethanone
CID 164556804
2-naphthalen-1-yl-1-(2-phenylmorpholin-4-yl)ethanone
CID 16894712

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-1-yl-1-[4-[(1S,2S)-2-phenylcyclopropanecarbonyl]piperazin-1-yl]ethanone?
The IUPAC name of 2-naphthalen-1-yl-1-[4-[(1S,2S)-2-phenylcyclopropanecarbonyl]piperazin-1-yl]ethanone (CID 51896738) is 2-naphthalen-1-yl-1-[4-[(1S,2S)-2-phenylcyclopropanecarbonyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 2-naphthalen-1-yl-1-[4-[(1S,2S)-2-phenylcyclopropanecarbonyl]piperazin-1-yl]ethanone?
The canonical SMILES for 2-naphthalen-1-yl-1-[4-[(1S,2S)-2-phenylcyclopropanecarbonyl]piperazin-1-yl]ethanone is O=C(Cc1cccc2ccccc12)N1CCN(C(=O)[C@H]2C[C@@H]2c2ccccc2)CC1.
What is the InChIKey of 2-naphthalen-1-yl-1-[4-[(1S,2S)-2-phenylcyclopropanecarbonyl]piperazin-1-yl]ethanone?
The InChIKey is QYAKSBAZODUTRA-RPWUZVMVSA-N. The full InChI is InChI=1S/C26H26N2O2/c29-25(17-21-11-6-10-19-9-4-5-12-22(19)21)27-13-15-28(16-14-27)26(30)24-18-23(24)20-7-2-1-3-8-20/h1-12,23-24H,13-18H2/t23-,24+/m1/s1.
What are the key properties of 2-naphthalen-1-yl-1-[4-[(1S,2S)-2-phenylcyclopropanecarbonyl]piperazin-1-yl]ethanone?
2-naphthalen-1-yl-1-[4-[(1S,2S)-2-phenylcyclopropanecarbonyl]piperazin-1-yl]ethanone has a molecular weight of 398.51 g/mol, XLogP of 3.86, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-1-yl-1-[4-[(1S,2S)-2-phenylcyclopropanecarbonyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 51896738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).