[4-(1-benzofuran-2-carbonyl)piperazin-1-yl]-[(1S,2R)-2-phenylcyclopropyl]methanone

C23H22N2O3 — CID 51896827

IUPAC[4-(1-benzofuran-2-carbonyl)piperazin-1-yl]-[(1S,2R)-2-phenylcyclopropyl]methanone
SMILESO=C(c1cc2ccccc2o1)N1CCN(C(=O)[C@H]2C[C@H]2c2ccccc2)CC1
InChIInChI=1S/C23H22N2O3/c26-22(19-15-18(19)16-6-2-1-3-7-16)24-10-12-25(13-11-24)23(27)21-14-17-8-4-5-9-20(17)28-21/h1-9,14,18-19H,10-13,15H2/t18-,19-/m0/s1
InChIKeyRASDXJZGVJAICP-OALUTQOASA-N
MW374.44 g/mol
LogP3.52
Rot. Bonds3

About [4-(1-benzofuran-2-carbonyl)piperazin-1-yl]-[(1S,2R)-2-phenylcyclopropyl]methanone

[4-(1-benzofuran-2-carbonyl)piperazin-1-yl]-[(1S,2R)-2-phenylcyclopropyl]methanone (PubChem CID 51896827) has the molecular formula C23H22N2O3 and a molecular weight of 374.44 g/mol. Its IUPAC name is [4-(1-benzofuran-2-carbonyl)piperazin-1-yl]-[(1S,2R)-2-phenylcyclopropyl]methanone.

Molecular Properties

Compound Name[4-(1-benzofuran-2-carbonyl)piperazin-1-yl]-[(1S,2R)-2-phenylcyclopropyl]methanone
PubChem CID51896827
Molecular FormulaC23H22N2O3
Molecular Weight374.44 g/mol
Exact Mass374.16
IUPAC Name[4-(1-benzofuran-2-carbonyl)piperazin-1-yl]-[(1S,2R)-2-phenylcyclopropyl]methanone
SMILESO=C(c1cc2ccccc2o1)N1CCN(C(=O)[C@H]2C[C@H]2c2ccccc2)CC1
InChIInChI=1S/C23H22N2O3/c26-22(19-15-18(19)16-6-2-1-3-7-16)24-10-12-25(13-11-24)23(27)21-14-17-8-4-5-9-20(17)28-21/h1-9,14,18-19H,10-13,15H2/t18-,19-/m0/s1
InChIKeyRASDXJZGVJAICP-OALUTQOASA-N
XLogP3.52
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(1-benzofuran-2-carbonyl)piperazin-1-yl]-[(1R,2R)-2-phenylcyclopropyl]methanone
CID 51896830
[4-(1-benzofuran-2-carbonyl)piperazin-1-yl]-(2-hydroxyphenyl)methanone
CID 166230750
1-benzofuran-2-yl-[4-(chloromethyl)piperidin-1-yl]methanone
CID 55188193
1-benzofuran-2-yl-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]methanone
CID 79403971
1-(1-benzofuran-2-carbonyl)-2-methylpyrrolidine-3-carboxylic acid
CID 79363980
ethyl 4-(1-benzofuran-2-carbonyl)piperazine-1-carboxylate
CID 6457707
(3-aminoazetidin-1-yl)-(1-benzofuran-2-yl)methanone
CID 63755277
1-benzofuran-2-yl-(4-methylpiperazin-4-ium-1-yl)methanone
CID 7640327
1-benzofuran-2-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 2707484
1-[4-(1-benzofuran-2-carbonyl)piperazin-1-yl]-3-(furan-2-yl)propan-1-one
CID 32538724
[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-[(1S,2S)-2-phenylcyclopropyl]methanone
CID 95169474
[(1S,2S)-2-phenylcyclopropyl]-piperazin-1-ylmethanone
CID 51893718

Frequently Asked Questions

What is the IUPAC name of [4-(1-benzofuran-2-carbonyl)piperazin-1-yl]-[(1S,2R)-2-phenylcyclopropyl]methanone?
The IUPAC name of [4-(1-benzofuran-2-carbonyl)piperazin-1-yl]-[(1S,2R)-2-phenylcyclopropyl]methanone (CID 51896827) is [4-(1-benzofuran-2-carbonyl)piperazin-1-yl]-[(1S,2R)-2-phenylcyclopropyl]methanone.
What is the SMILES notation for [4-(1-benzofuran-2-carbonyl)piperazin-1-yl]-[(1S,2R)-2-phenylcyclopropyl]methanone?
The canonical SMILES for [4-(1-benzofuran-2-carbonyl)piperazin-1-yl]-[(1S,2R)-2-phenylcyclopropyl]methanone is O=C(c1cc2ccccc2o1)N1CCN(C(=O)[C@H]2C[C@H]2c2ccccc2)CC1.
What is the InChIKey of [4-(1-benzofuran-2-carbonyl)piperazin-1-yl]-[(1S,2R)-2-phenylcyclopropyl]methanone?
The InChIKey is RASDXJZGVJAICP-OALUTQOASA-N. The full InChI is InChI=1S/C23H22N2O3/c26-22(19-15-18(19)16-6-2-1-3-7-16)24-10-12-25(13-11-24)23(27)21-14-17-8-4-5-9-20(17)28-21/h1-9,14,18-19H,10-13,15H2/t18-,19-/m0/s1.
What are the key properties of [4-(1-benzofuran-2-carbonyl)piperazin-1-yl]-[(1S,2R)-2-phenylcyclopropyl]methanone?
[4-(1-benzofuran-2-carbonyl)piperazin-1-yl]-[(1S,2R)-2-phenylcyclopropyl]methanone has a molecular weight of 374.44 g/mol, XLogP of 3.52, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-benzofuran-2-carbonyl)piperazin-1-yl]-[(1S,2R)-2-phenylcyclopropyl]methanone is sourced from PubChem (CID 51896827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).