[3-(methylamino)piperidin-1-yl]-[1-(2-methylphenyl)cyclopropyl]methanone

C17H24N2O — CID 119488173

IUPAC[3-(methylamino)piperidin-1-yl]-[1-(2-methylphenyl)cyclopropyl]methanone
SMILESCNC1CCCN(C(=O)C2(c3ccccc3C)CC2)C1
InChIInChI=1S/C17H24N2O/c1-13-6-3-4-8-15(13)17(9-10-17)16(20)19-11-5-7-14(12-19)18-2/h3-4,6,8,14,18H,5,7,9-12H2,1-2H3
InChIKeyPBRYBROWLRZOFY-UHFFFAOYSA-N
MW272.39 g/mol
LogP2.24
Rot. Bonds3

About [3-(methylamino)piperidin-1-yl]-[1-(2-methylphenyl)cyclopropyl]methanone

[3-(methylamino)piperidin-1-yl]-[1-(2-methylphenyl)cyclopropyl]methanone (PubChem CID 119488173) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is [3-(methylamino)piperidin-1-yl]-[1-(2-methylphenyl)cyclopropyl]methanone.

Molecular Properties

Compound Name[3-(methylamino)piperidin-1-yl]-[1-(2-methylphenyl)cyclopropyl]methanone
PubChem CID119488173
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name[3-(methylamino)piperidin-1-yl]-[1-(2-methylphenyl)cyclopropyl]methanone
SMILESCNC1CCCN(C(=O)C2(c3ccccc3C)CC2)C1
InChIInChI=1S/C17H24N2O/c1-13-6-3-4-8-15(13)17(9-10-17)16(20)19-11-5-7-14(12-19)18-2/h3-4,6,8,14,18H,5,7,9-12H2,1-2H3
InChIKeyPBRYBROWLRZOFY-UHFFFAOYSA-N
XLogP2.24
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(2-chlorophenyl)oxan-4-yl]-[3-(methylamino)piperidin-1-yl]methanone
CID 119491517
(3-aminopiperidin-1-yl)-[1-(2-methylphenyl)cyclohexyl]methanone;hydrochloride
CID 119378259
[1-(3,5-dimethylphenyl)cyclopropyl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119490422
N-(2-aminoethyl)-1-[1-(2-methylphenyl)cyclohexanecarbonyl]piperidine-3-carboxamide
CID 119480049
[1-(2-methylphenyl)cyclopropyl]-[(3R)-3-methylpiperazin-1-yl]methanone
CID 124620383
[1-(3-fluorophenyl)cyclopentyl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119487413
(3R)-3-(methylamino)-N-(2-methylphenyl)piperidine-1-carboxamide;hydrochloride
CID 172646427
[3-(methylamino)piperidin-1-yl]-(1-phenylsulfanylcyclopentyl)methanone
CID 119490722
3,9-diazabicyclo[4.2.1]nonan-3-yl-[1-(2-methylphenyl)cyclohexyl]methanone;hydrochloride
CID 119635994
(3aR,7aS)-1-methyl-5-[1-(2-methylphenyl)cyclobutanecarbonyl]-3,3a,4,6,7,7a-hexahydroimidazo[4,5-c]pyridin-2-one
CID 120963729
[1-(3-methoxyphenyl)cyclopentyl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119489769
[2-(difluoromethyl)morpholin-4-yl]-[1-(2-methylphenyl)cyclopropyl]methanone
CID 126772723

Frequently Asked Questions

What is the IUPAC name of [3-(methylamino)piperidin-1-yl]-[1-(2-methylphenyl)cyclopropyl]methanone?
The IUPAC name of [3-(methylamino)piperidin-1-yl]-[1-(2-methylphenyl)cyclopropyl]methanone (CID 119488173) is [3-(methylamino)piperidin-1-yl]-[1-(2-methylphenyl)cyclopropyl]methanone.
What is the SMILES notation for [3-(methylamino)piperidin-1-yl]-[1-(2-methylphenyl)cyclopropyl]methanone?
The canonical SMILES for [3-(methylamino)piperidin-1-yl]-[1-(2-methylphenyl)cyclopropyl]methanone is CNC1CCCN(C(=O)C2(c3ccccc3C)CC2)C1.
What is the InChIKey of [3-(methylamino)piperidin-1-yl]-[1-(2-methylphenyl)cyclopropyl]methanone?
The InChIKey is PBRYBROWLRZOFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-13-6-3-4-8-15(13)17(9-10-17)16(20)19-11-5-7-14(12-19)18-2/h3-4,6,8,14,18H,5,7,9-12H2,1-2H3.
What are the key properties of [3-(methylamino)piperidin-1-yl]-[1-(2-methylphenyl)cyclopropyl]methanone?
[3-(methylamino)piperidin-1-yl]-[1-(2-methylphenyl)cyclopropyl]methanone has a molecular weight of 272.39 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(methylamino)piperidin-1-yl]-[1-(2-methylphenyl)cyclopropyl]methanone is sourced from PubChem (CID 119488173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).