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

C20H22N2O2 — CID 97025073

IUPAC1-[4-[(1S,2S)-2-naphthalen-1-ylcyclopropanecarbonyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)[C@H]2C[C@@H]2c2cccc3ccccc23)CC1
InChIInChI=1S/C20H22N2O2/c1-14(23)21-9-11-22(12-10-21)20(24)19-13-18(19)17-8-4-6-15-5-2-3-7-16(15)17/h2-8,18-19H,9-13H2,1H3/t18-,19+/m1/s1
InChIKeyRDRMYCITUQMKMM-MOPGFXCFSA-N
MW322.41 g/mol
LogP2.63
Rot. Bonds2

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

1-[4-[(1S,2S)-2-naphthalen-1-ylcyclopropanecarbonyl]piperazin-1-yl]ethanone (PubChem CID 97025073) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is 1-[4-[(1S,2S)-2-naphthalen-1-ylcyclopropanecarbonyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[(1S,2S)-2-naphthalen-1-ylcyclopropanecarbonyl]piperazin-1-yl]ethanone
PubChem CID97025073
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC Name1-[4-[(1S,2S)-2-naphthalen-1-ylcyclopropanecarbonyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)[C@H]2C[C@@H]2c2cccc3ccccc23)CC1
InChIInChI=1S/C20H22N2O2/c1-14(23)21-9-11-22(12-10-21)20(24)19-13-18(19)17-8-4-6-15-5-2-3-7-16(15)17/h2-8,18-19H,9-13H2,1H3/t18-,19+/m1/s1
InChIKeyRDRMYCITUQMKMM-MOPGFXCFSA-N
XLogP2.63
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-[(1S,2S)-2-naphthalen-1-ylcyclopropanecarbonyl]-1,4-diazepan-1-yl]ethanone
CID 97093023
(4-methyl-1,4-diazepan-1-yl)-[(1R,2R)-2-naphthalen-1-ylcyclopropyl]methanone
CID 166287115
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(2-naphthalen-1-ylcyclopropyl)methanone
CID 71878166
1-[4-[(1S,2R)-2-(2,3-dichlorophenyl)cyclopropanecarbonyl]piperazin-1-yl]ethanone
CID 95620484
2-naphthalen-1-yl-1-[4-[(1S,2S)-2-phenylcyclopropanecarbonyl]piperazin-1-yl]ethanone
CID 51896738
(3S)-3-methyl-4-[(1R,2R)-2-naphthalen-1-ylcyclopropanecarbonyl]-1,4-diazepan-2-one
CID 166287330
[2-(2-methoxyphenyl)piperazin-1-yl]-(2-naphthalen-1-ylcyclopropyl)methanone;hydrochloride
CID 120732828
[4-(naphthalene-1-carbonyl)piperazin-1-yl]-[(1R,2R)-2-thiophen-2-ylcyclopropyl]methanone
CID 51896777
2-[(2-naphthalen-1-ylcyclopropanecarbonyl)amino]acetic acid
CID 119350067
1-[4-[(1R,2R)-2-(4-phenylmethoxyphenyl)cyclopropanecarbonyl]piperazin-1-yl]ethanone
CID 166287114
1-[4-[4-(naphthalen-1-ylmethyl)piperazine-1-carbonyl]piperidin-1-yl]ethanone
CID 9397930
[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-[(1R,2R)-2-(2-methoxyphenyl)cyclopropyl]methanone
CID 95345802

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(1S,2S)-2-naphthalen-1-ylcyclopropanecarbonyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[(1S,2S)-2-naphthalen-1-ylcyclopropanecarbonyl]piperazin-1-yl]ethanone (CID 97025073) is 1-[4-[(1S,2S)-2-naphthalen-1-ylcyclopropanecarbonyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[(1S,2S)-2-naphthalen-1-ylcyclopropanecarbonyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[(1S,2S)-2-naphthalen-1-ylcyclopropanecarbonyl]piperazin-1-yl]ethanone is CC(=O)N1CCN(C(=O)[C@H]2C[C@@H]2c2cccc3ccccc23)CC1.
What is the InChIKey of 1-[4-[(1S,2S)-2-naphthalen-1-ylcyclopropanecarbonyl]piperazin-1-yl]ethanone?
The InChIKey is RDRMYCITUQMKMM-MOPGFXCFSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-14(23)21-9-11-22(12-10-21)20(24)19-13-18(19)17-8-4-6-15-5-2-3-7-16(15)17/h2-8,18-19H,9-13H2,1H3/t18-,19+/m1/s1.
What are the key properties of 1-[4-[(1S,2S)-2-naphthalen-1-ylcyclopropanecarbonyl]piperazin-1-yl]ethanone?
1-[4-[(1S,2S)-2-naphthalen-1-ylcyclopropanecarbonyl]piperazin-1-yl]ethanone has a molecular weight of 322.41 g/mol, XLogP of 2.63, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(1S,2S)-2-naphthalen-1-ylcyclopropanecarbonyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 97025073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).