(2-methylphenyl)-(2-piperidin-4-ylpyrrolidin-1-yl)methanone

C17H24N2O — CID 60979228

IUPAC(2-methylphenyl)-(2-piperidin-4-ylpyrrolidin-1-yl)methanone
SMILESCc1ccccc1C(=O)N1CCCC1C1CCNCC1
InChIInChI=1S/C17H24N2O/c1-13-5-2-3-6-15(13)17(20)19-12-4-7-16(19)14-8-10-18-11-9-14/h2-3,5-6,14,16,18H,4,7-12H2,1H3
InChIKeyFBGCZVHQNPZMEI-UHFFFAOYSA-N
MW272.39 g/mol
LogP2.60
Rot. Bonds2

About (2-methylphenyl)-(2-piperidin-4-ylpyrrolidin-1-yl)methanone

(2-methylphenyl)-(2-piperidin-4-ylpyrrolidin-1-yl)methanone (PubChem CID 60979228) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is (2-methylphenyl)-(2-piperidin-4-ylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(2-methylphenyl)-(2-piperidin-4-ylpyrrolidin-1-yl)methanone
PubChem CID60979228
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name(2-methylphenyl)-(2-piperidin-4-ylpyrrolidin-1-yl)methanone
SMILESCc1ccccc1C(=O)N1CCCC1C1CCNCC1
InChIInChI=1S/C17H24N2O/c1-13-5-2-3-6-15(13)17(20)19-12-4-7-16(19)14-8-10-18-11-9-14/h2-3,5-6,14,16,18H,4,7-12H2,1H3
InChIKeyFBGCZVHQNPZMEI-UHFFFAOYSA-N
XLogP2.60
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-fluorophenyl)-(2-piperidin-4-ylpyrrolidin-1-yl)methanone
CID 60978270
(2,4-dimethylphenyl)-(2-piperidin-4-ylpyrrolidin-1-yl)methanone
CID 60979607
(2,6-dihydroxyphenyl)-(2-piperidin-4-ylpyrrolidin-1-yl)methanone
CID 107688521
3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl-(2-methylphenyl)methanone
CID 128946457
phenyl-[(2R)-2-piperidin-4-ylazepan-1-yl]methanone
CID 95241507
3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-(3-hydroxy-2-methylphenyl)methanone
CID 82829954
2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl-(2-fluoro-3-methylphenyl)methanone
CID 102679421
(2-ethylpyrrolidin-1-yl)-(2-methylphenyl)methanone
CID 110604637
2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-(2-fluoro-3-methylphenyl)methanone
CID 80711637
(2S)-2-piperidin-4-ylpyrrolidine-1-carboxylic acid
CID 134348850
[2-(2-methylphenyl)pyrrolidin-1-yl]-piperidin-4-ylmethanone
CID 60947724
[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-(3-amino-2-methylphenyl)methanone
CID 102725146

Frequently Asked Questions

What is the IUPAC name of (2-methylphenyl)-(2-piperidin-4-ylpyrrolidin-1-yl)methanone?
The IUPAC name of (2-methylphenyl)-(2-piperidin-4-ylpyrrolidin-1-yl)methanone (CID 60979228) is (2-methylphenyl)-(2-piperidin-4-ylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (2-methylphenyl)-(2-piperidin-4-ylpyrrolidin-1-yl)methanone?
The canonical SMILES for (2-methylphenyl)-(2-piperidin-4-ylpyrrolidin-1-yl)methanone is Cc1ccccc1C(=O)N1CCCC1C1CCNCC1.
What is the InChIKey of (2-methylphenyl)-(2-piperidin-4-ylpyrrolidin-1-yl)methanone?
The InChIKey is FBGCZVHQNPZMEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-13-5-2-3-6-15(13)17(20)19-12-4-7-16(19)14-8-10-18-11-9-14/h2-3,5-6,14,16,18H,4,7-12H2,1H3.
What are the key properties of (2-methylphenyl)-(2-piperidin-4-ylpyrrolidin-1-yl)methanone?
(2-methylphenyl)-(2-piperidin-4-ylpyrrolidin-1-yl)methanone has a molecular weight of 272.39 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylphenyl)-(2-piperidin-4-ylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 60979228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).