(4,4-difluoropiperidin-1-yl)-[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]methanone

C18H24F2N2O — CID 165432913

IUPAC(4,4-difluoropiperidin-1-yl)-[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]methanone
SMILESCc1ccccc1CN1CCC(C(=O)N2CCC(F)(F)CC2)C1
InChIInChI=1S/C18H24F2N2O/c1-14-4-2-3-5-15(14)12-21-9-6-16(13-21)17(23)22-10-7-18(19,20)8-11-22/h2-5,16H,6-13H2,1H3
InChIKeyCKDMLENZDXXLAZ-UHFFFAOYSA-N
MW322.40 g/mol
LogP3.07
Rot. Bonds3

About (4,4-difluoropiperidin-1-yl)-[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]methanone

(4,4-difluoropiperidin-1-yl)-[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]methanone (PubChem CID 165432913) has the molecular formula C18H24F2N2O and a molecular weight of 322.40 g/mol. Its IUPAC name is (4,4-difluoropiperidin-1-yl)-[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]methanone.

Molecular Properties

Compound Name(4,4-difluoropiperidin-1-yl)-[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]methanone
PubChem CID165432913
Molecular FormulaC18H24F2N2O
Molecular Weight322.40 g/mol
Exact Mass322.19
IUPAC Name(4,4-difluoropiperidin-1-yl)-[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]methanone
SMILESCc1ccccc1CN1CCC(C(=O)N2CCC(F)(F)CC2)C1
InChIInChI=1S/C18H24F2N2O/c1-14-4-2-3-5-15(14)12-21-9-6-16(13-21)17(23)22-10-7-18(19,20)8-11-22/h2-5,16H,6-13H2,1H3
InChIKeyCKDMLENZDXXLAZ-UHFFFAOYSA-N
XLogP3.07
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.40
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[1-[(2-chlorophenyl)methyl]piperidin-3-yl]-(4,4-difluoropiperidin-1-yl)methanone
CID 163357971
[1-[(2,4-difluorophenyl)methyl]pyrrolidin-3-yl]-(4,4-difluoropiperidin-1-yl)methanone
CID 165432887
(4-benzylpiperazin-1-yl)-[1-[(2-methylphenyl)methyl]piperidin-4-yl]methanone
CID 45019515
1-[1-[(2-methylphenyl)methyl]piperidine-4-carbonyl]piperidine-4-carboxamide
CID 45019892
[1-[(2-methylphenyl)methyl]piperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone
CID 43920515
(4,4-difluoropiperidin-1-yl)-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-yl]methanone
CID 166600818
2-[3-(4,4-difluoropiperidine-1-carbonyl)pyrrolidin-1-yl]-N-(3-methylphenyl)acetamide
CID 165434132
1-[(2-methylphenyl)methyl]piperidine-4-carbohydrazide
CID 54793639
(4,4-difluoropiperidin-1-yl)-[1-(pyridin-3-ylmethyl)piperidin-4-yl]methanone
CID 155975853
(1-benzylpyrrolidin-3-yl)-pyrrolidin-1-ylmethanone
CID 67294243
(4,4-difluoropiperidin-1-yl)-[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]methanone
CID 163357915
1-(cyclopropanecarbonyl)-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide
CID 39730995

Frequently Asked Questions

What is the IUPAC name of (4,4-difluoropiperidin-1-yl)-[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]methanone?
The IUPAC name of (4,4-difluoropiperidin-1-yl)-[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]methanone (CID 165432913) is (4,4-difluoropiperidin-1-yl)-[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]methanone.
What is the SMILES notation for (4,4-difluoropiperidin-1-yl)-[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]methanone?
The canonical SMILES for (4,4-difluoropiperidin-1-yl)-[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]methanone is Cc1ccccc1CN1CCC(C(=O)N2CCC(F)(F)CC2)C1.
What is the InChIKey of (4,4-difluoropiperidin-1-yl)-[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]methanone?
The InChIKey is CKDMLENZDXXLAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F2N2O/c1-14-4-2-3-5-15(14)12-21-9-6-16(13-21)17(23)22-10-7-18(19,20)8-11-22/h2-5,16H,6-13H2,1H3.
What are the key properties of (4,4-difluoropiperidin-1-yl)-[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]methanone?
(4,4-difluoropiperidin-1-yl)-[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]methanone has a molecular weight of 322.40 g/mol, XLogP of 3.07, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-difluoropiperidin-1-yl)-[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]methanone is sourced from PubChem (CID 165432913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).