3-[2-[(2R)-2-methylpiperazine-1-carbonyl]cyclopropyl]benzamide

C16H21N3O2 — CID 67541062

IUPAC3-[2-[(2R)-2-methylpiperazine-1-carbonyl]cyclopropyl]benzamide
SMILESC[C@@H]1CNCCN1C(=O)C1CC1c1cccc(C(N)=O)c1
InChIInChI=1S/C16H21N3O2/c1-10-9-18-5-6-19(10)16(21)14-8-13(14)11-3-2-4-12(7-11)15(17)20/h2-4,7,10,13-14,18H,5-6,8-9H2,1H3,(H2,17,20)/t10-,13?,14?/m1/s1
InChIKeyFXBMAHZYZURQJV-GWMXKSKGSA-N
MW287.36 g/mol
LogP0.71
Rot. Bonds3

About 3-[2-[(2R)-2-methylpiperazine-1-carbonyl]cyclopropyl]benzamide

3-[2-[(2R)-2-methylpiperazine-1-carbonyl]cyclopropyl]benzamide (PubChem CID 67541062) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 3-[2-[(2R)-2-methylpiperazine-1-carbonyl]cyclopropyl]benzamide.

Molecular Properties

Compound Name3-[2-[(2R)-2-methylpiperazine-1-carbonyl]cyclopropyl]benzamide
PubChem CID67541062
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name3-[2-[(2R)-2-methylpiperazine-1-carbonyl]cyclopropyl]benzamide
SMILESC[C@@H]1CNCCN1C(=O)C1CC1c1cccc(C(N)=O)c1
InChIInChI=1S/C16H21N3O2/c1-10-9-18-5-6-19(10)16(21)14-8-13(14)11-3-2-4-12(7-11)15(17)20/h2-4,7,10,13-14,18H,5-6,8-9H2,1H3,(H2,17,20)/t10-,13?,14?/m1/s1
InChIKeyFXBMAHZYZURQJV-GWMXKSKGSA-N
XLogP0.71
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(1S,2S)-2-[(2R)-2-methylpiperazine-1-carbonyl]cyclopropyl]benzamide
CID 59454528
(2-methylpiperazin-1-yl)-(2-phenylcyclopropyl)methanone
CID 81478367
[(2R)-2-methylpiperazin-1-yl]-[(1R,2R)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]methanone
CID 124571143
[(1R,2R)-2-methylcyclopropyl]-(2-methylpiperazin-1-yl)methanone
CID 155385369
tert-butyl (3S)-4-[(1S,2S)-2-(3-carbamoylphenyl)cyclopropanecarbonyl]-3-methylpiperazine-1-carboxylate;tert-butyl (3R)-4-[(1S,2S)-2-(3-carbamoylphenyl)cyclopropanecarbonyl]-3-methylpiperazine-1-carboxylate;3-formylbenzonitrile;methyl (E)-3-(3-cyanophenyl)prop-2-enoate;3-[(1S,2S)-2-[(2R)-2-methylpiperazine-1-carbonyl]cyclopropyl]benzamide;3-[(1S,2S)-2-[(2S)-2-methylpiperazine-1-carbonyl]cyclopropyl]benzamide;trans-(1S,2S)-2-(3-carbamoylphenyl)cyclopropane-1-carboxylic acid;trans-methyl (1S,2S)-2-(3-cyanophenyl)cyclopropane-1-carboxylate
CID 158951362
(3-fluorophenyl)-(2-methylpiperazin-1-yl)methanone
CID 62672072
sodium 3-[(2R)-2-methylpiperazine-1-carbonyl]benzoate
CID 126837861
(3-fluorophenyl)-[(2S)-2-methylpiperazin-1-yl]methanone;hydrochloride
CID 68757495
(3-methoxyphenyl)-(2-methylpiperazin-1-yl)methanone
CID 51000391
[2-(3-bromophenyl)cyclopropyl]-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride
CID 120877797
3-(2-phenylcyclopropyl)benzamide
CID 144684573
[2-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]-[2-(3-fluorophenyl)piperazin-1-yl]methanone
CID 120736182

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(2R)-2-methylpiperazine-1-carbonyl]cyclopropyl]benzamide?
The IUPAC name of 3-[2-[(2R)-2-methylpiperazine-1-carbonyl]cyclopropyl]benzamide (CID 67541062) is 3-[2-[(2R)-2-methylpiperazine-1-carbonyl]cyclopropyl]benzamide.
What is the SMILES notation for 3-[2-[(2R)-2-methylpiperazine-1-carbonyl]cyclopropyl]benzamide?
The canonical SMILES for 3-[2-[(2R)-2-methylpiperazine-1-carbonyl]cyclopropyl]benzamide is C[C@@H]1CNCCN1C(=O)C1CC1c1cccc(C(N)=O)c1.
What is the InChIKey of 3-[2-[(2R)-2-methylpiperazine-1-carbonyl]cyclopropyl]benzamide?
The InChIKey is FXBMAHZYZURQJV-GWMXKSKGSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-10-9-18-5-6-19(10)16(21)14-8-13(14)11-3-2-4-12(7-11)15(17)20/h2-4,7,10,13-14,18H,5-6,8-9H2,1H3,(H2,17,20)/t10-,13?,14?/m1/s1.
What are the key properties of 3-[2-[(2R)-2-methylpiperazine-1-carbonyl]cyclopropyl]benzamide?
3-[2-[(2R)-2-methylpiperazine-1-carbonyl]cyclopropyl]benzamide has a molecular weight of 287.36 g/mol, XLogP of 0.71, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(2R)-2-methylpiperazine-1-carbonyl]cyclopropyl]benzamide is sourced from PubChem (CID 67541062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).