[3-methyl-3-(2-phenylethyl)pyrrolidin-1-yl]-piperidin-2-ylmethanone

C19H28N2O — CID 119339735

IUPAC[3-methyl-3-(2-phenylethyl)pyrrolidin-1-yl]-piperidin-2-ylmethanone
SMILESCC1(CCc2ccccc2)CCN(C(=O)C2CCCCN2)C1
InChIInChI=1S/C19H28N2O/c1-19(11-10-16-7-3-2-4-8-16)12-14-21(15-19)18(22)17-9-5-6-13-20-17/h2-4,7-8,17,20H,5-6,9-15H2,1H3
InChIKeyCCYRFQZKKHMXDG-UHFFFAOYSA-N
MW300.45 g/mol
LogP3.00
Rot. Bonds4

About [3-methyl-3-(2-phenylethyl)pyrrolidin-1-yl]-piperidin-2-ylmethanone

[3-methyl-3-(2-phenylethyl)pyrrolidin-1-yl]-piperidin-2-ylmethanone (PubChem CID 119339735) has the molecular formula C19H28N2O and a molecular weight of 300.45 g/mol. Its IUPAC name is [3-methyl-3-(2-phenylethyl)pyrrolidin-1-yl]-piperidin-2-ylmethanone.

Molecular Properties

Compound Name[3-methyl-3-(2-phenylethyl)pyrrolidin-1-yl]-piperidin-2-ylmethanone
PubChem CID119339735
Molecular FormulaC19H28N2O
Molecular Weight300.45 g/mol
Exact Mass300.22
IUPAC Name[3-methyl-3-(2-phenylethyl)pyrrolidin-1-yl]-piperidin-2-ylmethanone
SMILESCC1(CCc2ccccc2)CCN(C(=O)C2CCCCN2)C1
InChIInChI=1S/C19H28N2O/c1-19(11-10-16-7-3-2-4-8-16)12-14-21(15-19)18(22)17-9-5-6-13-20-17/h2-4,7-8,17,20H,5-6,9-15H2,1H3
InChIKeyCCYRFQZKKHMXDG-UHFFFAOYSA-N
XLogP3.00
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-methyl-3-phenylpyrrolidin-1-yl)-pyrrolidin-2-ylmethanone
CID 119337174
(9-amino-3-bicyclo[3.3.1]nonanyl)-[3-methyl-3-(2-phenylethyl)pyrrolidin-1-yl]methanone
CID 120991998
(3-methyl-3-phenylpiperidin-1-yl)-piperidin-2-ylmethanone;hydrochloride
CID 119325537
2-(4-aminophenyl)-1-[3-methyl-3-(2-phenylethyl)pyrrolidin-1-yl]ethanone;hydrochloride
CID 119811821
(3-hydroxy-3-methylpyrrolidin-1-yl)-[(2S)-piperidin-2-yl]methanone
CID 103356057
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[3-methyl-3-(2-phenylethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 120795669
(4,4-dimethylpiperidin-1-yl)-[(2R)-piperidin-2-yl]methanone
CID 94899369
1-[3-methyl-3-(2-phenylethyl)pyrrolidin-1-yl]-2-thiomorpholin-3-ylethanone
CID 119940178
3-(2-phenylethyl)-8-[(2S)-pyrrolidine-2-carbonyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70730575
2-(cyclopropylmethylamino)-1-[3-methyl-3-(2-phenylethyl)pyrrolidin-1-yl]ethanone;hydrochloride
CID 119811839
azepan-2-yl-(4,4-dimethylpiperidin-1-yl)methanone
CID 64571164
(4,4-dimethylpiperidin-1-yl)-piperidin-2-ylmethanone;hydrochloride
CID 119316184

Frequently Asked Questions

What is the IUPAC name of [3-methyl-3-(2-phenylethyl)pyrrolidin-1-yl]-piperidin-2-ylmethanone?
The IUPAC name of [3-methyl-3-(2-phenylethyl)pyrrolidin-1-yl]-piperidin-2-ylmethanone (CID 119339735) is [3-methyl-3-(2-phenylethyl)pyrrolidin-1-yl]-piperidin-2-ylmethanone.
What is the SMILES notation for [3-methyl-3-(2-phenylethyl)pyrrolidin-1-yl]-piperidin-2-ylmethanone?
The canonical SMILES for [3-methyl-3-(2-phenylethyl)pyrrolidin-1-yl]-piperidin-2-ylmethanone is CC1(CCc2ccccc2)CCN(C(=O)C2CCCCN2)C1.
What is the InChIKey of [3-methyl-3-(2-phenylethyl)pyrrolidin-1-yl]-piperidin-2-ylmethanone?
The InChIKey is CCYRFQZKKHMXDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O/c1-19(11-10-16-7-3-2-4-8-16)12-14-21(15-19)18(22)17-9-5-6-13-20-17/h2-4,7-8,17,20H,5-6,9-15H2,1H3.
What are the key properties of [3-methyl-3-(2-phenylethyl)pyrrolidin-1-yl]-piperidin-2-ylmethanone?
[3-methyl-3-(2-phenylethyl)pyrrolidin-1-yl]-piperidin-2-ylmethanone has a molecular weight of 300.45 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-3-(2-phenylethyl)pyrrolidin-1-yl]-piperidin-2-ylmethanone is sourced from PubChem (CID 119339735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).