(2-methyl-3-phenylpyrrolidin-1-yl)-piperidin-3-ylmethanone

C17H24N2O — CID 119337130

IUPAC(2-methyl-3-phenylpyrrolidin-1-yl)-piperidin-3-ylmethanone
SMILESCC1C(c2ccccc2)CCN1C(=O)C1CCCNC1
InChIInChI=1S/C17H24N2O/c1-13-16(14-6-3-2-4-7-14)9-11-19(13)17(20)15-8-5-10-18-12-15/h2-4,6-7,13,15-16,18H,5,8-12H2,1H3
InChIKeyYNHNGXQSHZOTEJ-UHFFFAOYSA-N
MW272.39 g/mol
LogP2.39
Rot. Bonds2

About (2-methyl-3-phenylpyrrolidin-1-yl)-piperidin-3-ylmethanone

(2-methyl-3-phenylpyrrolidin-1-yl)-piperidin-3-ylmethanone (PubChem CID 119337130) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is (2-methyl-3-phenylpyrrolidin-1-yl)-piperidin-3-ylmethanone.

Molecular Properties

Compound Name(2-methyl-3-phenylpyrrolidin-1-yl)-piperidin-3-ylmethanone
PubChem CID119337130
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name(2-methyl-3-phenylpyrrolidin-1-yl)-piperidin-3-ylmethanone
SMILESCC1C(c2ccccc2)CCN1C(=O)C1CCCNC1
InChIInChI=1S/C17H24N2O/c1-13-16(14-6-3-2-4-7-14)9-11-19(13)17(20)15-8-5-10-18-12-15/h2-4,6-7,13,15-16,18H,5,8-12H2,1H3
InChIKeyYNHNGXQSHZOTEJ-UHFFFAOYSA-N
XLogP2.39
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 ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(2R,3R)-3-benzyl-2-methylpyrrolidin-1-yl]-[(3S)-piperidin-3-yl]methanone
CID 125134096
[(1S,3R)-3-aminocyclohexyl]-[(2R,3S)-2-methyl-3-phenylpyrrolidin-1-yl]methanone
CID 125135133
(3-aminocyclopentyl)-(2-methyl-3-phenylpyrrolidin-1-yl)methanone;hydrochloride
CID 119807327
(2-phenylazepan-1-yl)-pyrrolidin-3-ylmethanone
CID 119737819
(4-phenylazepan-1-yl)-piperidin-3-ylmethanone;hydrochloride
CID 119316139
(2-benzylpyrrolidin-1-yl)-piperidin-3-ylmethanone
CID 60940057
[2-(1-phenylpropyl)pyrrolidin-1-yl]-piperidin-3-ylmethanone;hydrochloride
CID 119308533
(2-methylpiperidin-1-yl)-[(3R)-piperidin-3-yl]methanone
CID 81123466
[2-(3-methylphenyl)azepan-1-yl]-piperidin-3-ylmethanone;hydrochloride
CID 119328737
(2,4-dimethylpiperidin-1-yl)-[(3S)-piperidin-3-yl]methanone
CID 81139161
(2-methyl-3-phenylpyrrolidin-1-yl)-[(3R,4S)-4-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]methanone;hydrochloride
CID 120935558
[2-(3-bromophenyl)pyrrolidin-1-yl]-[(3S)-piperidin-3-yl]methanone
CID 81128440

Frequently Asked Questions

What is the IUPAC name of (2-methyl-3-phenylpyrrolidin-1-yl)-piperidin-3-ylmethanone?
The IUPAC name of (2-methyl-3-phenylpyrrolidin-1-yl)-piperidin-3-ylmethanone (CID 119337130) is (2-methyl-3-phenylpyrrolidin-1-yl)-piperidin-3-ylmethanone.
What is the SMILES notation for (2-methyl-3-phenylpyrrolidin-1-yl)-piperidin-3-ylmethanone?
The canonical SMILES for (2-methyl-3-phenylpyrrolidin-1-yl)-piperidin-3-ylmethanone is CC1C(c2ccccc2)CCN1C(=O)C1CCCNC1.
What is the InChIKey of (2-methyl-3-phenylpyrrolidin-1-yl)-piperidin-3-ylmethanone?
The InChIKey is YNHNGXQSHZOTEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-13-16(14-6-3-2-4-7-14)9-11-19(13)17(20)15-8-5-10-18-12-15/h2-4,6-7,13,15-16,18H,5,8-12H2,1H3.
What are the key properties of (2-methyl-3-phenylpyrrolidin-1-yl)-piperidin-3-ylmethanone?
(2-methyl-3-phenylpyrrolidin-1-yl)-piperidin-3-ylmethanone has a molecular weight of 272.39 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-3-phenylpyrrolidin-1-yl)-piperidin-3-ylmethanone is sourced from PubChem (CID 119337130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).