4-[2-[(2S)-4-cyclobutyl-2-methylpiperazine-1-carbonyl]cyclopropyl]benzamide

C20H27N3O2 — CID 67540478

IUPAC4-[2-[(2S)-4-cyclobutyl-2-methylpiperazine-1-carbonyl]cyclopropyl]benzamide
SMILESC[C@H]1CN(C2CCC2)CCN1C(=O)C1CC1c1ccc(C(N)=O)cc1
InChIInChI=1S/C20H27N3O2/c1-13-12-22(16-3-2-4-16)9-10-23(13)20(25)18-11-17(18)14-5-7-15(8-6-14)19(21)24/h5-8,13,16-18H,2-4,9-12H2,1H3,(H2,21,24)/t13-,17?,18?/m0/s1
InChIKeyNJJBLDDRYMCIMQ-TZYSRNFLSA-N
MW341.45 g/mol
LogP1.97
Rot. Bonds4

About 4-[2-[(2S)-4-cyclobutyl-2-methylpiperazine-1-carbonyl]cyclopropyl]benzamide

4-[2-[(2S)-4-cyclobutyl-2-methylpiperazine-1-carbonyl]cyclopropyl]benzamide (PubChem CID 67540478) has the molecular formula C20H27N3O2 and a molecular weight of 341.45 g/mol. Its IUPAC name is 4-[2-[(2S)-4-cyclobutyl-2-methylpiperazine-1-carbonyl]cyclopropyl]benzamide.

Molecular Properties

Compound Name4-[2-[(2S)-4-cyclobutyl-2-methylpiperazine-1-carbonyl]cyclopropyl]benzamide
PubChem CID67540478
Molecular FormulaC20H27N3O2
Molecular Weight341.45 g/mol
Exact Mass341.21
IUPAC Name4-[2-[(2S)-4-cyclobutyl-2-methylpiperazine-1-carbonyl]cyclopropyl]benzamide
SMILESC[C@H]1CN(C2CCC2)CCN1C(=O)C1CC1c1ccc(C(N)=O)cc1
InChIInChI=1S/C20H27N3O2/c1-13-12-22(16-3-2-4-16)9-10-23(13)20(25)18-11-17(18)14-5-7-15(8-6-14)19(21)24/h5-8,13,16-18H,2-4,9-12H2,1H3,(H2,21,24)/t13-,17?,18?/m0/s1
InChIKeyNJJBLDDRYMCIMQ-TZYSRNFLSA-N
XLogP1.97
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(1S,2S)-2-[(2R)-2-methyl-4-propan-2-ylpiperazine-1-carbonyl]cyclopropyl]benzamide
CID 59454518
tert-butyl (3R)-4-[(1S,2S)-2-(4-carbamoylphenyl)cyclopropanecarbonyl]-3-methylpiperazine-1-carboxylate
CID 58398758
4-[2-(4-cyclobutyl-3,3-dimethylpiperazine-1-carbonyl)cyclopropyl]benzamide
CID 67539518
bis[(2R)-4-cyclobutyl-2-methylpiperazin-1-yl]methanone
CID 174680889
3-[(1S,2S)-2-[(2R)-2-methylpiperazine-1-carbonyl]cyclopropyl]benzamide
CID 59454528
3-[2-[(2R)-2-methylpiperazine-1-carbonyl]cyclopropyl]benzamide
CID 67541062
[(9aR)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]methanone
CID 95590084
5-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)-1H-pyridin-2-one
CID 78959581
4-(3-methylcyclohexyl)benzamide
CID 54069897
(4-cyclopropyl-2-methylpiperazin-1-yl)-[1-(pyridine-4-carbonyl)piperidin-4-yl]methanone
CID 162627603
5-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbonyl)-1H-pyridin-2-one
CID 78992331
cyclobutyl-[(1S,4S)-5-[(1S,2S)-2-phenylcyclopropanecarbonyl]-2,5-diazabicyclo[2.2.2]octan-2-yl]methanone
CID 171679767

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(2S)-4-cyclobutyl-2-methylpiperazine-1-carbonyl]cyclopropyl]benzamide?
The IUPAC name of 4-[2-[(2S)-4-cyclobutyl-2-methylpiperazine-1-carbonyl]cyclopropyl]benzamide (CID 67540478) is 4-[2-[(2S)-4-cyclobutyl-2-methylpiperazine-1-carbonyl]cyclopropyl]benzamide.
What is the SMILES notation for 4-[2-[(2S)-4-cyclobutyl-2-methylpiperazine-1-carbonyl]cyclopropyl]benzamide?
The canonical SMILES for 4-[2-[(2S)-4-cyclobutyl-2-methylpiperazine-1-carbonyl]cyclopropyl]benzamide is C[C@H]1CN(C2CCC2)CCN1C(=O)C1CC1c1ccc(C(N)=O)cc1.
What is the InChIKey of 4-[2-[(2S)-4-cyclobutyl-2-methylpiperazine-1-carbonyl]cyclopropyl]benzamide?
The InChIKey is NJJBLDDRYMCIMQ-TZYSRNFLSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-13-12-22(16-3-2-4-16)9-10-23(13)20(25)18-11-17(18)14-5-7-15(8-6-14)19(21)24/h5-8,13,16-18H,2-4,9-12H2,1H3,(H2,21,24)/t13-,17?,18?/m0/s1.
What are the key properties of 4-[2-[(2S)-4-cyclobutyl-2-methylpiperazine-1-carbonyl]cyclopropyl]benzamide?
4-[2-[(2S)-4-cyclobutyl-2-methylpiperazine-1-carbonyl]cyclopropyl]benzamide has a molecular weight of 341.45 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(2S)-4-cyclobutyl-2-methylpiperazine-1-carbonyl]cyclopropyl]benzamide is sourced from PubChem (CID 67540478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).