(3-methylpyrrolidin-2-yl)-(2-phenylpyrrolidin-1-yl)methanone

C16H22N2O — CID 102777441

IUPAC(3-methylpyrrolidin-2-yl)-(2-phenylpyrrolidin-1-yl)methanone
SMILESCC1CCNC1C(=O)N1CCCC1c1ccccc1
InChIInChI=1S/C16H22N2O/c1-12-9-10-17-15(12)16(19)18-11-5-8-14(18)13-6-3-2-4-7-13/h2-4,6-7,12,14-15,17H,5,8-11H2,1H3
InChIKeyFWLCJOZQYGXEIP-UHFFFAOYSA-N
MW258.36 g/mol
LogP2.35
Rot. Bonds2

About (3-methylpyrrolidin-2-yl)-(2-phenylpyrrolidin-1-yl)methanone

(3-methylpyrrolidin-2-yl)-(2-phenylpyrrolidin-1-yl)methanone (PubChem CID 102777441) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is (3-methylpyrrolidin-2-yl)-(2-phenylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(3-methylpyrrolidin-2-yl)-(2-phenylpyrrolidin-1-yl)methanone
PubChem CID102777441
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC Name(3-methylpyrrolidin-2-yl)-(2-phenylpyrrolidin-1-yl)methanone
SMILESCC1CCNC1C(=O)N1CCCC1c1ccccc1
InChIInChI=1S/C16H22N2O/c1-12-9-10-17-15(12)16(19)18-11-5-8-14(18)13-6-3-2-4-7-13/h2-4,6-7,12,14-15,17H,5,8-11H2,1H3
InChIKeyFWLCJOZQYGXEIP-UHFFFAOYSA-N
XLogP2.35
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-methylpyrrolidin-2-yl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 102777436
cyclohexyl-(2-phenylpiperidin-1-yl)methanone
CID 161290286
tert-butyl (2S)-2-phenylpyrrolidine-1-carboxylate
CID 10999368
(4-methylpiperidin-4-yl)-(2-phenylpyrrolidin-1-yl)methanone
CID 63121925
4-(2-phenylpyrrolidine-1-carbonyl)pyrrolidin-2-one
CID 78982970
(2-phenylazepan-1-yl)-pyrrolidin-3-ylmethanone
CID 119737819
2,2-dimethyl-1-[(2R)-2-phenylpyrrolidin-1-yl]propane-1-thione
CID 138963743
3-methyl-1-(2-phenylpyrrolidin-1-yl)butan-1-one
CID 110871522
5-(2-phenylpyrrolidine-1-carbonyl)piperidin-2-one
CID 112728798
[2-(4-chlorophenyl)pyrrolidin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone
CID 120622148
1-(2-phenylpiperidin-1-yl)ethanethione
CID 150861838
2-methoxy-2-methyl-1-(2-phenylpyrrolidin-1-yl)propan-1-one
CID 103029058

Frequently Asked Questions

What is the IUPAC name of (3-methylpyrrolidin-2-yl)-(2-phenylpyrrolidin-1-yl)methanone?
The IUPAC name of (3-methylpyrrolidin-2-yl)-(2-phenylpyrrolidin-1-yl)methanone (CID 102777441) is (3-methylpyrrolidin-2-yl)-(2-phenylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (3-methylpyrrolidin-2-yl)-(2-phenylpyrrolidin-1-yl)methanone?
The canonical SMILES for (3-methylpyrrolidin-2-yl)-(2-phenylpyrrolidin-1-yl)methanone is CC1CCNC1C(=O)N1CCCC1c1ccccc1.
What is the InChIKey of (3-methylpyrrolidin-2-yl)-(2-phenylpyrrolidin-1-yl)methanone?
The InChIKey is FWLCJOZQYGXEIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-12-9-10-17-15(12)16(19)18-11-5-8-14(18)13-6-3-2-4-7-13/h2-4,6-7,12,14-15,17H,5,8-11H2,1H3.
What are the key properties of (3-methylpyrrolidin-2-yl)-(2-phenylpyrrolidin-1-yl)methanone?
(3-methylpyrrolidin-2-yl)-(2-phenylpyrrolidin-1-yl)methanone has a molecular weight of 258.36 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylpyrrolidin-2-yl)-(2-phenylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 102777441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).