2-[3-(4,4-difluoropiperidine-1-carbonyl)pyrrolidin-1-yl]-N-(3-methylphenyl)acetamide

C19H25F2N3O2 — CID 165434132

IUPAC2-[3-(4,4-difluoropiperidine-1-carbonyl)pyrrolidin-1-yl]-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)CN2CCC(C(=O)N3CCC(F)(F)CC3)C2)c1
InChIInChI=1S/C19H25F2N3O2/c1-14-3-2-4-16(11-14)22-17(25)13-23-8-5-15(12-23)18(26)24-9-6-19(20,21)7-10-24/h2-4,11,15H,5-10,12-13H2,1H3,(H,22,25)
InChIKeyDDWMIOISNMENBF-UHFFFAOYSA-N
MW365.42 g/mol
LogP2.51
Rot. Bonds4

About 2-[3-(4,4-difluoropiperidine-1-carbonyl)pyrrolidin-1-yl]-N-(3-methylphenyl)acetamide

2-[3-(4,4-difluoropiperidine-1-carbonyl)pyrrolidin-1-yl]-N-(3-methylphenyl)acetamide (PubChem CID 165434132) has the molecular formula C19H25F2N3O2 and a molecular weight of 365.42 g/mol. Its IUPAC name is 2-[3-(4,4-difluoropiperidine-1-carbonyl)pyrrolidin-1-yl]-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[3-(4,4-difluoropiperidine-1-carbonyl)pyrrolidin-1-yl]-N-(3-methylphenyl)acetamide
PubChem CID165434132
Molecular FormulaC19H25F2N3O2
Molecular Weight365.42 g/mol
Exact Mass365.19
IUPAC Name2-[3-(4,4-difluoropiperidine-1-carbonyl)pyrrolidin-1-yl]-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)CN2CCC(C(=O)N3CCC(F)(F)CC3)C2)c1
InChIInChI=1S/C19H25F2N3O2/c1-14-3-2-4-16(11-14)22-17(25)13-23-8-5-15(12-23)18(26)24-9-6-19(20,21)7-10-24/h2-4,11,15H,5-10,12-13H2,1H3,(H,22,25)
InChIKeyDDWMIOISNMENBF-UHFFFAOYSA-N
XLogP2.51
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.42
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(4,4-difluoropiperidine-1-carbonyl)pyrrolidin-1-yl]-N-(4-fluorophenyl)acetamide
CID 165434146
2-(azocan-1-yl)-N-(3-methylphenyl)acetamide
CID 2655272
N-cyclopropyl-1-[2-(3-methylanilino)-2-oxoethyl]azetidine-3-carboxamide
CID 171327777
2-[(3R)-3-hydroxypiperidin-1-yl]-N-(3-methylphenyl)acetamide
CID 129367068
(4,4-difluoropiperidin-1-yl)-[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]methanone
CID 165432913
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-N-(3-methylphenyl)acetamide
CID 155981782
2-[4-(methylaminomethyl)piperidin-1-yl]-N-(3-methylphenyl)acetamide
CID 63248780
N-(3-chlorophenyl)-2-[(3S)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]acetamide
CID 95622494
2-[3-(4,4-difluoropiperidine-1-carbonyl)pyrrolidin-1-yl]-N-prop-2-enylacetamide
CID 165434079
1-[2-(3-ethylanilino)-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 63032214
2-(3,5-dimethylpiperidin-1-yl)-N-(3-methylphenyl)acetamide
CID 22198013
2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N-(3-methylphenyl)acetamide
CID 34905400

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4,4-difluoropiperidine-1-carbonyl)pyrrolidin-1-yl]-N-(3-methylphenyl)acetamide?
The IUPAC name of 2-[3-(4,4-difluoropiperidine-1-carbonyl)pyrrolidin-1-yl]-N-(3-methylphenyl)acetamide (CID 165434132) is 2-[3-(4,4-difluoropiperidine-1-carbonyl)pyrrolidin-1-yl]-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-[3-(4,4-difluoropiperidine-1-carbonyl)pyrrolidin-1-yl]-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-[3-(4,4-difluoropiperidine-1-carbonyl)pyrrolidin-1-yl]-N-(3-methylphenyl)acetamide is Cc1cccc(NC(=O)CN2CCC(C(=O)N3CCC(F)(F)CC3)C2)c1.
What is the InChIKey of 2-[3-(4,4-difluoropiperidine-1-carbonyl)pyrrolidin-1-yl]-N-(3-methylphenyl)acetamide?
The InChIKey is DDWMIOISNMENBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25F2N3O2/c1-14-3-2-4-16(11-14)22-17(25)13-23-8-5-15(12-23)18(26)24-9-6-19(20,21)7-10-24/h2-4,11,15H,5-10,12-13H2,1H3,(H,22,25).
What are the key properties of 2-[3-(4,4-difluoropiperidine-1-carbonyl)pyrrolidin-1-yl]-N-(3-methylphenyl)acetamide?
2-[3-(4,4-difluoropiperidine-1-carbonyl)pyrrolidin-1-yl]-N-(3-methylphenyl)acetamide has a molecular weight of 365.42 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4,4-difluoropiperidine-1-carbonyl)pyrrolidin-1-yl]-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 165434132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).