[2-(2-methylphenyl)pyrrolidin-1-yl]-piperidin-4-ylmethanone

C17H24N2O — CID 60947724

IUPAC[2-(2-methylphenyl)pyrrolidin-1-yl]-piperidin-4-ylmethanone
SMILESCc1ccccc1C1CCCN1C(=O)C1CCNCC1
InChIInChI=1S/C17H24N2O/c1-13-5-2-3-6-15(13)16-7-4-12-19(16)17(20)14-8-10-18-11-9-14/h2-3,5-6,14,16,18H,4,7-12H2,1H3
InChIKeyIPDWVGZEZAKLJM-UHFFFAOYSA-N
MW272.39 g/mol
LogP2.66
Rot. Bonds2

About [2-(2-methylphenyl)pyrrolidin-1-yl]-piperidin-4-ylmethanone

[2-(2-methylphenyl)pyrrolidin-1-yl]-piperidin-4-ylmethanone (PubChem CID 60947724) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is [2-(2-methylphenyl)pyrrolidin-1-yl]-piperidin-4-ylmethanone.

Molecular Properties

Compound Name[2-(2-methylphenyl)pyrrolidin-1-yl]-piperidin-4-ylmethanone
PubChem CID60947724
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name[2-(2-methylphenyl)pyrrolidin-1-yl]-piperidin-4-ylmethanone
SMILESCc1ccccc1C1CCCN1C(=O)C1CCNCC1
InChIInChI=1S/C17H24N2O/c1-13-5-2-3-6-15(13)16-7-4-12-19(16)17(20)14-8-10-18-11-9-14/h2-3,5-6,14,16,18H,4,7-12H2,1H3
InChIKeyIPDWVGZEZAKLJM-UHFFFAOYSA-N
XLogP2.66
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 ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(2,3-dimethylphenyl)pyrrolidin-1-yl]-pyrrolidin-3-ylmethanone
CID 119800987
[(2R)-2-(2-methylphenyl)pyrrolidin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone
CID 93373362
[(1R,3R)-3-aminocyclopentyl]-[(2S)-2-(2-methylphenyl)pyrrolidin-1-yl]methanone
CID 124678566
1-[4-[2-(2-methylphenyl)pyrrolidine-1-carbonyl]piperidin-1-yl]-3-phenylprop-2-en-1-one
CID 55889163
(2S)-2-(2-methylphenyl)-N-phenylpyrrolidine-1-carboxamide
CID 51856075
[2-(2-methylphenyl)pyrrolidin-1-yl]-thiomorpholin-3-ylmethanone
CID 82908300
[2-(2,3-dimethylphenyl)pyrrolidin-1-yl]-piperidin-3-ylmethanone
CID 119333493
3-[2-(2-methylphenyl)pyrrolidine-1-carbonyl]-N-phenylpiperidine-1-carboxamide
CID 55982371
[2-(2-methylphenyl)pyrrolidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-5-yl)methanone
CID 166185575
tert-butyl 2-(2-methylphenyl)pyrrolidine-1-carboxylate;ethane
CID 144843357
(2S)-2-(2-methylphenyl)-N-(4-methylphenyl)pyrrolidine-1-carboxamide
CID 51855883
[2-(2-methylphenyl)pyrrolidin-1-yl]-(1H-pyrazol-4-yl)methanone
CID 54876822

Frequently Asked Questions

What is the IUPAC name of [2-(2-methylphenyl)pyrrolidin-1-yl]-piperidin-4-ylmethanone?
The IUPAC name of [2-(2-methylphenyl)pyrrolidin-1-yl]-piperidin-4-ylmethanone (CID 60947724) is [2-(2-methylphenyl)pyrrolidin-1-yl]-piperidin-4-ylmethanone.
What is the SMILES notation for [2-(2-methylphenyl)pyrrolidin-1-yl]-piperidin-4-ylmethanone?
The canonical SMILES for [2-(2-methylphenyl)pyrrolidin-1-yl]-piperidin-4-ylmethanone is Cc1ccccc1C1CCCN1C(=O)C1CCNCC1.
What is the InChIKey of [2-(2-methylphenyl)pyrrolidin-1-yl]-piperidin-4-ylmethanone?
The InChIKey is IPDWVGZEZAKLJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-13-5-2-3-6-15(13)16-7-4-12-19(16)17(20)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-(2-methylphenyl)pyrrolidin-1-yl]-piperidin-4-ylmethanone?
[2-(2-methylphenyl)pyrrolidin-1-yl]-piperidin-4-ylmethanone has a molecular weight of 272.39 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methylphenyl)pyrrolidin-1-yl]-piperidin-4-ylmethanone is sourced from PubChem (CID 60947724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).