[1-[[4-(3,5-dimethylphenyl)phenyl]methyl]pyrrolidin-2-yl]-(3-methylpiperidin-1-yl)methanone

C26H34N2O — CID 134803397

IUPAC[1-[[4-(3,5-dimethylphenyl)phenyl]methyl]pyrrolidin-2-yl]-(3-methylpiperidin-1-yl)methanone
SMILESCc1cc(C)cc(-c2ccc(CN3CCCC3C(=O)N3CCCC(C)C3)cc2)c1
InChIInChI=1S/C26H34N2O/c1-19-6-4-13-28(17-19)26(29)25-7-5-12-27(25)18-22-8-10-23(11-9-22)24-15-20(2)14-21(3)16-24/h8-11,14-16,19,25H,4-7,12-13,17-18H2,1-3H3
InChIKeyNTFNCZPSYZJFDA-UHFFFAOYSA-N
MW390.57 g/mol
LogP5.19
Rot. Bonds4

About [1-[[4-(3,5-dimethylphenyl)phenyl]methyl]pyrrolidin-2-yl]-(3-methylpiperidin-1-yl)methanone

[1-[[4-(3,5-dimethylphenyl)phenyl]methyl]pyrrolidin-2-yl]-(3-methylpiperidin-1-yl)methanone (PubChem CID 134803397) has the molecular formula C26H34N2O and a molecular weight of 390.57 g/mol. Its IUPAC name is [1-[[4-(3,5-dimethylphenyl)phenyl]methyl]pyrrolidin-2-yl]-(3-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[1-[[4-(3,5-dimethylphenyl)phenyl]methyl]pyrrolidin-2-yl]-(3-methylpiperidin-1-yl)methanone
PubChem CID134803397
Molecular FormulaC26H34N2O
Molecular Weight390.57 g/mol
Exact Mass390.27
IUPAC Name[1-[[4-(3,5-dimethylphenyl)phenyl]methyl]pyrrolidin-2-yl]-(3-methylpiperidin-1-yl)methanone
SMILESCc1cc(C)cc(-c2ccc(CN3CCCC3C(=O)N3CCCC(C)C3)cc2)c1
InChIInChI=1S/C26H34N2O/c1-19-6-4-13-28(17-19)26(29)25-7-5-12-27(25)18-22-8-10-23(11-9-22)24-15-20(2)14-21(3)16-24/h8-11,14-16,19,25H,4-7,12-13,17-18H2,1-3H3
InChIKeyNTFNCZPSYZJFDA-UHFFFAOYSA-N
XLogP5.19
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.57
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,2-difluoroethyl)-1-[[4-(3,5-dimethylphenyl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 134797773
1-[[4-(3,5-dimethylphenyl)phenyl]methyl]-N-prop-2-ynylpyrrolidine-2-carboxamide
CID 134800141
(1-benzylpyrrolidin-2-yl)-pyrrolidin-1-ylmethanone
CID 23282646
(1-benzylpyrrolidin-2-yl)-[3-(methylamino)piperidin-1-yl]methanone
CID 119493710
[3-[4-(3,5-dimethylphenyl)phenyl]imidazol-4-yl]-[(3R)-3-methylpiperidin-1-yl]methanone
CID 92767524
[(3S)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-[(2R)-1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]methanone
CID 124779272
N-[(3S)-1-[(2R)-1-benzylpyrrolidine-2-carbonyl]piperidin-3-yl]acetamide
CID 97027820
N-[(3S)-1-[(2S)-1-benzylpyrrolidine-2-carbonyl]piperidin-3-yl]acetamide
CID 97027818
(1-benzylpyrrolidin-2-yl)-[3-(methylaminomethyl)piperidin-1-yl]methanone;dihydrochloride
CID 119398857
[1-[[4-(2-methoxyphenyl)phenyl]methyl]piperidin-2-yl]-pyrrolidin-1-ylmethanone
CID 134796455
3,9-diazabicyclo[4.2.1]nonan-3-yl-[1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]methanone
CID 119636461
N-[1-[[4-(3,5-dimethylphenyl)phenyl]methyl]piperidin-3-yl]acetamide
CID 134803652

Frequently Asked Questions

What is the IUPAC name of [1-[[4-(3,5-dimethylphenyl)phenyl]methyl]pyrrolidin-2-yl]-(3-methylpiperidin-1-yl)methanone?
The IUPAC name of [1-[[4-(3,5-dimethylphenyl)phenyl]methyl]pyrrolidin-2-yl]-(3-methylpiperidin-1-yl)methanone (CID 134803397) is [1-[[4-(3,5-dimethylphenyl)phenyl]methyl]pyrrolidin-2-yl]-(3-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [1-[[4-(3,5-dimethylphenyl)phenyl]methyl]pyrrolidin-2-yl]-(3-methylpiperidin-1-yl)methanone?
The canonical SMILES for [1-[[4-(3,5-dimethylphenyl)phenyl]methyl]pyrrolidin-2-yl]-(3-methylpiperidin-1-yl)methanone is Cc1cc(C)cc(-c2ccc(CN3CCCC3C(=O)N3CCCC(C)C3)cc2)c1.
What is the InChIKey of [1-[[4-(3,5-dimethylphenyl)phenyl]methyl]pyrrolidin-2-yl]-(3-methylpiperidin-1-yl)methanone?
The InChIKey is NTFNCZPSYZJFDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N2O/c1-19-6-4-13-28(17-19)26(29)25-7-5-12-27(25)18-22-8-10-23(11-9-22)24-15-20(2)14-21(3)16-24/h8-11,14-16,19,25H,4-7,12-13,17-18H2,1-3H3.
What are the key properties of [1-[[4-(3,5-dimethylphenyl)phenyl]methyl]pyrrolidin-2-yl]-(3-methylpiperidin-1-yl)methanone?
[1-[[4-(3,5-dimethylphenyl)phenyl]methyl]pyrrolidin-2-yl]-(3-methylpiperidin-1-yl)methanone has a molecular weight of 390.57 g/mol, XLogP of 5.19, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[4-(3,5-dimethylphenyl)phenyl]methyl]pyrrolidin-2-yl]-(3-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 134803397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).