[1-(2-methylphenyl)cyclopropyl]-[(3R)-3-methylpiperazin-1-yl]methanone

C16H22N2O — CID 124620383

IUPAC[1-(2-methylphenyl)cyclopropyl]-[(3R)-3-methylpiperazin-1-yl]methanone
SMILESCc1ccccc1C1(C(=O)N2CCN[C@H](C)C2)CC1
InChIInChI=1S/C16H22N2O/c1-12-5-3-4-6-14(12)16(7-8-16)15(19)18-10-9-17-13(2)11-18/h3-6,13,17H,7-11H2,1-2H3/t13-/m1/s1
InChIKeySIJGVLPYRHRARG-CYBMUJFWSA-N
MW258.36 g/mol
LogP1.85
Rot. Bonds2

About [1-(2-methylphenyl)cyclopropyl]-[(3R)-3-methylpiperazin-1-yl]methanone

[1-(2-methylphenyl)cyclopropyl]-[(3R)-3-methylpiperazin-1-yl]methanone (PubChem CID 124620383) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is [1-(2-methylphenyl)cyclopropyl]-[(3R)-3-methylpiperazin-1-yl]methanone.

Molecular Properties

Compound Name[1-(2-methylphenyl)cyclopropyl]-[(3R)-3-methylpiperazin-1-yl]methanone
PubChem CID124620383
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC Name[1-(2-methylphenyl)cyclopropyl]-[(3R)-3-methylpiperazin-1-yl]methanone
SMILESCc1ccccc1C1(C(=O)N2CCN[C@H](C)C2)CC1
InChIInChI=1S/C16H22N2O/c1-12-5-3-4-6-14(12)16(7-8-16)15(19)18-10-9-17-13(2)11-18/h3-6,13,17H,7-11H2,1-2H3/t13-/m1/s1
InChIKeySIJGVLPYRHRARG-CYBMUJFWSA-N
XLogP1.85
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(3R)-3-methylpiperazin-1-yl]-(1-phenylcyclopropyl)methanone
CID 81426595
[3-(methylamino)piperidin-1-yl]-[1-(2-methylphenyl)cyclopropyl]methanone
CID 119488173
3,9-diazabicyclo[4.2.1]nonan-3-yl-[1-(2-methylphenyl)cyclohexyl]methanone;hydrochloride
CID 119635994
[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-[1-(2-methylphenyl)cyclopropyl]methanone
CID 154749248
[2-(difluoromethyl)morpholin-4-yl]-[1-(2-methylphenyl)cyclopropyl]methanone
CID 126772723
[(2S)-2-methylmorpholin-4-yl]-[4-(2-methylphenyl)oxan-4-yl]methanone
CID 94676078
2-[(2R)-4-[1-(2-methylphenyl)cyclopropanecarbonyl]morpholin-2-yl]acetic acid
CID 99607585
(1-benzylcyclopropyl)-(3-methylpiperazin-1-yl)methanone
CID 119579725
5-methyl-1-[1-(2-methylphenyl)cyclobutanecarbonyl]piperidine-3-carboxylic acid
CID 122117216
(3-aminopiperidin-1-yl)-[1-(2-methylphenyl)cyclohexyl]methanone;hydrochloride
CID 119378259
[1-(3-fluorophenyl)cyclobutyl]-(3-methylpiperazin-1-yl)methanone;hydrochloride
CID 119576490
(3aR,7aS)-1-methyl-5-[1-(2-methylphenyl)cyclobutanecarbonyl]-3,3a,4,6,7,7a-hexahydroimidazo[4,5-c]pyridin-2-one
CID 120963729

Frequently Asked Questions

What is the IUPAC name of [1-(2-methylphenyl)cyclopropyl]-[(3R)-3-methylpiperazin-1-yl]methanone?
The IUPAC name of [1-(2-methylphenyl)cyclopropyl]-[(3R)-3-methylpiperazin-1-yl]methanone (CID 124620383) is [1-(2-methylphenyl)cyclopropyl]-[(3R)-3-methylpiperazin-1-yl]methanone.
What is the SMILES notation for [1-(2-methylphenyl)cyclopropyl]-[(3R)-3-methylpiperazin-1-yl]methanone?
The canonical SMILES for [1-(2-methylphenyl)cyclopropyl]-[(3R)-3-methylpiperazin-1-yl]methanone is Cc1ccccc1C1(C(=O)N2CCN[C@H](C)C2)CC1.
What is the InChIKey of [1-(2-methylphenyl)cyclopropyl]-[(3R)-3-methylpiperazin-1-yl]methanone?
The InChIKey is SIJGVLPYRHRARG-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H22N2O/c1-12-5-3-4-6-14(12)16(7-8-16)15(19)18-10-9-17-13(2)11-18/h3-6,13,17H,7-11H2,1-2H3/t13-/m1/s1.
What are the key properties of [1-(2-methylphenyl)cyclopropyl]-[(3R)-3-methylpiperazin-1-yl]methanone?
[1-(2-methylphenyl)cyclopropyl]-[(3R)-3-methylpiperazin-1-yl]methanone has a molecular weight of 258.36 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-methylphenyl)cyclopropyl]-[(3R)-3-methylpiperazin-1-yl]methanone is sourced from PubChem (CID 124620383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).