[4-(naphthalene-1-carbonyl)piperazin-1-yl]-[(1R,2R)-2-thiophen-2-ylcyclopropyl]methanone

C23H22N2O2S — CID 51896777

IUPAC[4-(naphthalene-1-carbonyl)piperazin-1-yl]-[(1R,2R)-2-thiophen-2-ylcyclopropyl]methanone
SMILESO=C(c1cccc2ccccc12)N1CCN(C(=O)[C@@H]2C[C@H]2c2cccs2)CC1
InChIInChI=1S/C23H22N2O2S/c26-22(18-8-3-6-16-5-1-2-7-17(16)18)24-10-12-25(13-11-24)23(27)20-15-19(20)21-9-4-14-28-21/h1-9,14,19-20H,10-13,15H2/t19-,20-/m1/s1
InChIKeyAULMGXWNAOLRRN-WOJBJXKFSA-N
MW390.51 g/mol
LogP3.99
Rot. Bonds3

About [4-(naphthalene-1-carbonyl)piperazin-1-yl]-[(1R,2R)-2-thiophen-2-ylcyclopropyl]methanone

[4-(naphthalene-1-carbonyl)piperazin-1-yl]-[(1R,2R)-2-thiophen-2-ylcyclopropyl]methanone (PubChem CID 51896777) has the molecular formula C23H22N2O2S and a molecular weight of 390.51 g/mol. Its IUPAC name is [4-(naphthalene-1-carbonyl)piperazin-1-yl]-[(1R,2R)-2-thiophen-2-ylcyclopropyl]methanone.

Molecular Properties

Compound Name[4-(naphthalene-1-carbonyl)piperazin-1-yl]-[(1R,2R)-2-thiophen-2-ylcyclopropyl]methanone
PubChem CID51896777
Molecular FormulaC23H22N2O2S
Molecular Weight390.51 g/mol
Exact Mass390.14
IUPAC Name[4-(naphthalene-1-carbonyl)piperazin-1-yl]-[(1R,2R)-2-thiophen-2-ylcyclopropyl]methanone
SMILESO=C(c1cccc2ccccc12)N1CCN(C(=O)[C@@H]2C[C@H]2c2cccs2)CC1
InChIInChI=1S/C23H22N2O2S/c26-22(18-8-3-6-16-5-1-2-7-17(16)18)24-10-12-25(13-11-24)23(27)20-15-19(20)21-9-4-14-28-21/h1-9,14,19-20H,10-13,15H2/t19-,20-/m1/s1
InChIKeyAULMGXWNAOLRRN-WOJBJXKFSA-N
XLogP3.99
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-phenylpiperazin-1-yl)-(2-thiophen-2-ylcyclopropyl)methanone
CID 110681313
(4-methylpiperazin-1-yl)-(2-thiophen-2-ylcyclopropyl)methanone
CID 110681285
piperidin-1-yl-(2-thiophen-2-ylcyclopropyl)methanone
CID 110681274
(1,1-dioxo-7-thiophen-2-yl-1,4-thiazepan-4-yl)-naphthalen-1-ylmethanone
CID 121191418
[4-(furan-2-carbonyl)piperazin-1-yl]-[(1S,2R)-2-thiophen-2-ylcyclopropyl]methanone
CID 95967610
[4-(3-methoxy-1-methylpyrazole-4-carbonyl)piperazin-1-yl]-[(1S,2R)-2-thiophen-2-ylcyclopropyl]methanone
CID 51894534
[4-(3-methoxy-1-methylpyrazole-4-carbonyl)piperazin-1-yl]-[(1R)-2-thiophen-2-ylcyclopropyl]methanone
CID 176521046
ethyl 4-[(1S,2R)-2-thiophen-2-ylcyclopropanecarbonyl]piperazine-1-carboxylate
CID 51896985
2-(2-chlorophenyl)-1-[4-[(1S,2R)-2-thiophen-2-ylcyclopropanecarbonyl]piperazin-1-yl]ethanone
CID 51896786
[4-(2-fluorophenyl)piperazin-1-yl]-(2-thiophen-2-ylcyclopropyl)methanone
CID 110681327
[4-[3-(tetrazol-1-yl)benzoyl]piperazin-1-yl]-[(1R,2S)-2-thiophen-2-ylcyclopropyl]methanone
CID 51897958
2-(4-methoxyphenyl)-1-[4-[(1S,2R)-2-thiophen-2-ylcyclopropanecarbonyl]piperazin-1-yl]ethanone
CID 51897971

Frequently Asked Questions

What is the IUPAC name of [4-(naphthalene-1-carbonyl)piperazin-1-yl]-[(1R,2R)-2-thiophen-2-ylcyclopropyl]methanone?
The IUPAC name of [4-(naphthalene-1-carbonyl)piperazin-1-yl]-[(1R,2R)-2-thiophen-2-ylcyclopropyl]methanone (CID 51896777) is [4-(naphthalene-1-carbonyl)piperazin-1-yl]-[(1R,2R)-2-thiophen-2-ylcyclopropyl]methanone.
What is the SMILES notation for [4-(naphthalene-1-carbonyl)piperazin-1-yl]-[(1R,2R)-2-thiophen-2-ylcyclopropyl]methanone?
The canonical SMILES for [4-(naphthalene-1-carbonyl)piperazin-1-yl]-[(1R,2R)-2-thiophen-2-ylcyclopropyl]methanone is O=C(c1cccc2ccccc12)N1CCN(C(=O)[C@@H]2C[C@H]2c2cccs2)CC1.
What is the InChIKey of [4-(naphthalene-1-carbonyl)piperazin-1-yl]-[(1R,2R)-2-thiophen-2-ylcyclopropyl]methanone?
The InChIKey is AULMGXWNAOLRRN-WOJBJXKFSA-N. The full InChI is InChI=1S/C23H22N2O2S/c26-22(18-8-3-6-16-5-1-2-7-17(16)18)24-10-12-25(13-11-24)23(27)20-15-19(20)21-9-4-14-28-21/h1-9,14,19-20H,10-13,15H2/t19-,20-/m1/s1.
What are the key properties of [4-(naphthalene-1-carbonyl)piperazin-1-yl]-[(1R,2R)-2-thiophen-2-ylcyclopropyl]methanone?
[4-(naphthalene-1-carbonyl)piperazin-1-yl]-[(1R,2R)-2-thiophen-2-ylcyclopropyl]methanone has a molecular weight of 390.51 g/mol, XLogP of 3.99, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(naphthalene-1-carbonyl)piperazin-1-yl]-[(1R,2R)-2-thiophen-2-ylcyclopropyl]methanone is sourced from PubChem (CID 51896777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).