2-[(1S,2R)-2-(4-cyclobutylpiperazin-1-yl)cyclopropyl]benzamide

C18H25N3O — CID 152629986

IUPAC2-[(1S,2R)-2-(4-cyclobutylpiperazin-1-yl)cyclopropyl]benzamide
SMILESNC(=O)c1ccccc1[C@@H]1C[C@H]1N1CCN(C2CCC2)CC1
InChIInChI=1S/C18H25N3O/c19-18(22)15-7-2-1-6-14(15)16-12-17(16)21-10-8-20(9-11-21)13-4-3-5-13/h1-2,6-7,13,16-17H,3-5,8-12H2,(H2,19,22)/t16-,17+/m0/s1
InChIKeyZDIBJXUKTJWRTH-DLBZAZTESA-N
MW299.42 g/mol
LogP1.81
Rot. Bonds4

About 2-[(1S,2R)-2-(4-cyclobutylpiperazin-1-yl)cyclopropyl]benzamide

2-[(1S,2R)-2-(4-cyclobutylpiperazin-1-yl)cyclopropyl]benzamide (PubChem CID 152629986) has the molecular formula C18H25N3O and a molecular weight of 299.42 g/mol. Its IUPAC name is 2-[(1S,2R)-2-(4-cyclobutylpiperazin-1-yl)cyclopropyl]benzamide.

Molecular Properties

Compound Name2-[(1S,2R)-2-(4-cyclobutylpiperazin-1-yl)cyclopropyl]benzamide
PubChem CID152629986
Molecular FormulaC18H25N3O
Molecular Weight299.42 g/mol
Exact Mass299.20
IUPAC Name2-[(1S,2R)-2-(4-cyclobutylpiperazin-1-yl)cyclopropyl]benzamide
SMILESNC(=O)c1ccccc1[C@@H]1C[C@H]1N1CCN(C2CCC2)CC1
InChIInChI=1S/C18H25N3O/c19-18(22)15-7-2-1-6-14(15)16-12-17(16)21-10-8-20(9-11-21)13-4-3-5-13/h1-2,6-7,13,16-17H,3-5,8-12H2,(H2,19,22)/t16-,17+/m0/s1
InChIKeyZDIBJXUKTJWRTH-DLBZAZTESA-N
XLogP1.81
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1R,2R)-2-cyclopropylcyclopropyl]benzamide
CID 68745238
2-(1-aminopiperidin-4-yl)benzamide
CID 174916154
2-(3-sulfanylcyclohexyl)benzamide
CID 166057237
2-(2-aminocyclohexyl)benzamide;(Z)-but-2-enedioic acid
CID 70422160
(2-aminophenyl)-(4-cyclopentylpiperazin-1-yl)methanone;dihydrochloride
CID 119946429
2-[(4-cyclopentylpiperazin-1-yl)methyl]benzenecarbothioamide
CID 62368620
2-(3,5-diaminocyclohexyl)benzamide
CID 68506787
(4-cyclopentylpiperazin-1-yl)-(2-iodophenyl)methanone
CID 60735523
(4-cyclopentylpiperazin-1-yl)-(2-fluorophenyl)methanone
CID 796441
2-(1-cyclohexylpiperidin-4-yl)-3-oxo-1H-indazole-4-carboxamide
CID 71239676
4-cyclobutylpiperazine-1-carboxamide
CID 53426578
2-(4-cyclohexylpiperazin-1-yl)-1H-benzimidazole-4-carboxamide
CID 18428278

Frequently Asked Questions

What is the IUPAC name of 2-[(1S,2R)-2-(4-cyclobutylpiperazin-1-yl)cyclopropyl]benzamide?
The IUPAC name of 2-[(1S,2R)-2-(4-cyclobutylpiperazin-1-yl)cyclopropyl]benzamide (CID 152629986) is 2-[(1S,2R)-2-(4-cyclobutylpiperazin-1-yl)cyclopropyl]benzamide.
What is the SMILES notation for 2-[(1S,2R)-2-(4-cyclobutylpiperazin-1-yl)cyclopropyl]benzamide?
The canonical SMILES for 2-[(1S,2R)-2-(4-cyclobutylpiperazin-1-yl)cyclopropyl]benzamide is NC(=O)c1ccccc1[C@@H]1C[C@H]1N1CCN(C2CCC2)CC1.
What is the InChIKey of 2-[(1S,2R)-2-(4-cyclobutylpiperazin-1-yl)cyclopropyl]benzamide?
The InChIKey is ZDIBJXUKTJWRTH-DLBZAZTESA-N. The full InChI is InChI=1S/C18H25N3O/c19-18(22)15-7-2-1-6-14(15)16-12-17(16)21-10-8-20(9-11-21)13-4-3-5-13/h1-2,6-7,13,16-17H,3-5,8-12H2,(H2,19,22)/t16-,17+/m0/s1.
What are the key properties of 2-[(1S,2R)-2-(4-cyclobutylpiperazin-1-yl)cyclopropyl]benzamide?
2-[(1S,2R)-2-(4-cyclobutylpiperazin-1-yl)cyclopropyl]benzamide has a molecular weight of 299.42 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,2R)-2-(4-cyclobutylpiperazin-1-yl)cyclopropyl]benzamide is sourced from PubChem (CID 152629986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).