(3,5-dimethylphenyl)-(3-pyrrolidin-2-ylpiperidin-1-yl)methanone

C18H26N2O — CID 60979101

IUPAC(3,5-dimethylphenyl)-(3-pyrrolidin-2-ylpiperidin-1-yl)methanone
SMILESCc1cc(C)cc(C(=O)N2CCCC(C3CCCN3)C2)c1
InChIInChI=1S/C18H26N2O/c1-13-9-14(2)11-16(10-13)18(21)20-8-4-5-15(12-20)17-6-3-7-19-17/h9-11,15,17,19H,3-8,12H2,1-2H3
InChIKeyKRKNXYUXTHJTPP-UHFFFAOYSA-N
MW286.42 g/mol
LogP2.91
Rot. Bonds2

About (3,5-dimethylphenyl)-(3-pyrrolidin-2-ylpiperidin-1-yl)methanone

(3,5-dimethylphenyl)-(3-pyrrolidin-2-ylpiperidin-1-yl)methanone (PubChem CID 60979101) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is (3,5-dimethylphenyl)-(3-pyrrolidin-2-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(3,5-dimethylphenyl)-(3-pyrrolidin-2-ylpiperidin-1-yl)methanone
PubChem CID60979101
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name(3,5-dimethylphenyl)-(3-pyrrolidin-2-ylpiperidin-1-yl)methanone
SMILESCc1cc(C)cc(C(=O)N2CCCC(C3CCCN3)C2)c1
InChIInChI=1S/C18H26N2O/c1-13-9-14(2)11-16(10-13)18(21)20-8-4-5-15(12-20)17-6-3-7-19-17/h9-11,15,17,19H,3-8,12H2,1-2H3
InChIKeyKRKNXYUXTHJTPP-UHFFFAOYSA-N
XLogP2.91
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-bromothiophen-3-yl)-(3-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 103832103
(5-hydroxy-3-pyridinyl)-(3-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 63851017
(4-methyl-1,3-thiazol-5-yl)-(3-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 54885904
[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-(4-methylphenyl)methanone
CID 102679912
(4-methylphenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 63259067
(2-hydroxyphenyl)-(3-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 60978290
(5-methyl-3-pyridinyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone;dihydrochloride
CID 119999315
(2,5-dichlorophenyl)-(3-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 60978829
1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl-(3,5-dichlorophenyl)methanone
CID 102680250
[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-(3,5-dibromophenyl)methanone
CID 107973654
(5-methylfuran-3-yl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 114821961
(3-pyrrolidin-2-ylpiperidin-1-yl)-(1,2,5-thiadiazol-3-yl)methanone
CID 54886047

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylphenyl)-(3-pyrrolidin-2-ylpiperidin-1-yl)methanone?
The IUPAC name of (3,5-dimethylphenyl)-(3-pyrrolidin-2-ylpiperidin-1-yl)methanone (CID 60979101) is (3,5-dimethylphenyl)-(3-pyrrolidin-2-ylpiperidin-1-yl)methanone.
What is the SMILES notation for (3,5-dimethylphenyl)-(3-pyrrolidin-2-ylpiperidin-1-yl)methanone?
The canonical SMILES for (3,5-dimethylphenyl)-(3-pyrrolidin-2-ylpiperidin-1-yl)methanone is Cc1cc(C)cc(C(=O)N2CCCC(C3CCCN3)C2)c1.
What is the InChIKey of (3,5-dimethylphenyl)-(3-pyrrolidin-2-ylpiperidin-1-yl)methanone?
The InChIKey is KRKNXYUXTHJTPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-13-9-14(2)11-16(10-13)18(21)20-8-4-5-15(12-20)17-6-3-7-19-17/h9-11,15,17,19H,3-8,12H2,1-2H3.
What are the key properties of (3,5-dimethylphenyl)-(3-pyrrolidin-2-ylpiperidin-1-yl)methanone?
(3,5-dimethylphenyl)-(3-pyrrolidin-2-ylpiperidin-1-yl)methanone has a molecular weight of 286.42 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylphenyl)-(3-pyrrolidin-2-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 60979101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).