2-[4-(azepane-1-carbonyl)piperidin-1-yl]-N-(2,4-difluorophenyl)acetamide

C20H27F2N3O2 — CID 17490744

IUPAC2-[4-(azepane-1-carbonyl)piperidin-1-yl]-N-(2,4-difluorophenyl)acetamide
SMILESO=C(CN1CCC(C(=O)N2CCCCCC2)CC1)Nc1ccc(F)cc1F
InChIInChI=1S/C20H27F2N3O2/c21-16-5-6-18(17(22)13-16)23-19(26)14-24-11-7-15(8-12-24)20(27)25-9-3-1-2-4-10-25/h5-6,13,15H,1-4,7-12,14H2,(H,23,26)
InChIKeyBFICNRDNNFUAOM-UHFFFAOYSA-N
MW379.45 g/mol
LogP3.02
Rot. Bonds4

About 2-[4-(azepane-1-carbonyl)piperidin-1-yl]-N-(2,4-difluorophenyl)acetamide

2-[4-(azepane-1-carbonyl)piperidin-1-yl]-N-(2,4-difluorophenyl)acetamide (PubChem CID 17490744) has the molecular formula C20H27F2N3O2 and a molecular weight of 379.45 g/mol. Its IUPAC name is 2-[4-(azepane-1-carbonyl)piperidin-1-yl]-N-(2,4-difluorophenyl)acetamide.

Molecular Properties

Compound Name2-[4-(azepane-1-carbonyl)piperidin-1-yl]-N-(2,4-difluorophenyl)acetamide
PubChem CID17490744
Molecular FormulaC20H27F2N3O2
Molecular Weight379.45 g/mol
Exact Mass379.21
IUPAC Name2-[4-(azepane-1-carbonyl)piperidin-1-yl]-N-(2,4-difluorophenyl)acetamide
SMILESO=C(CN1CCC(C(=O)N2CCCCCC2)CC1)Nc1ccc(F)cc1F
InChIInChI=1S/C20H27F2N3O2/c21-16-5-6-18(17(22)13-16)23-19(26)14-24-11-7-15(8-12-24)20(27)25-9-3-1-2-4-10-25/h5-6,13,15H,1-4,7-12,14H2,(H,23,26)
InChIKeyBFICNRDNNFUAOM-UHFFFAOYSA-N
XLogP3.02
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.45
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 1-[2-(2,4-difluoroanilino)-2-oxoethyl]piperidine-4-carboxylate
CID 4818400
N-(2,4-difluorophenyl)-2-(4-methoxypiperidin-1-yl)acetamide
CID 47131519
methyl 1-[2-(2,4-difluoroanilino)-2-oxoethyl]pyrrolidine-3-carboxylate
CID 112731416
2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-N-(2,4-difluorophenyl)acetamide
CID 11940559
2-[4-(cyclohexanecarbonyl)piperazin-1-yl]-N-(2-fluorophenyl)acetamide
CID 86850419
1-[2-(2-amino-4-fluoroanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 16792068
(3S)-1-[2-(2,4-difluoroanilino)-2-oxoethyl]piperidine-3-carboxamide
CID 9305453
N-(2,4-difluorophenyl)-2-(3-methylpiperidin-1-yl)acetamide
CID 4824448
N-(4-fluorophenyl)-2-[4-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperidin-1-yl]acetamide
CID 16809605
1-[2-(2-fluoro-4-methylanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 8531194
2-[4-(azepane-1-carbonyl)piperidin-1-yl]-N-[1-(4-fluorophenyl)-2-methylpropyl]acetamide
CID 55468968
N-(2,4-difluorophenyl)-2-(2,6-dimethylpiperidin-1-yl)acetamide
CID 22197954

Frequently Asked Questions

What is the IUPAC name of 2-[4-(azepane-1-carbonyl)piperidin-1-yl]-N-(2,4-difluorophenyl)acetamide?
The IUPAC name of 2-[4-(azepane-1-carbonyl)piperidin-1-yl]-N-(2,4-difluorophenyl)acetamide (CID 17490744) is 2-[4-(azepane-1-carbonyl)piperidin-1-yl]-N-(2,4-difluorophenyl)acetamide.
What is the SMILES notation for 2-[4-(azepane-1-carbonyl)piperidin-1-yl]-N-(2,4-difluorophenyl)acetamide?
The canonical SMILES for 2-[4-(azepane-1-carbonyl)piperidin-1-yl]-N-(2,4-difluorophenyl)acetamide is O=C(CN1CCC(C(=O)N2CCCCCC2)CC1)Nc1ccc(F)cc1F.
What is the InChIKey of 2-[4-(azepane-1-carbonyl)piperidin-1-yl]-N-(2,4-difluorophenyl)acetamide?
The InChIKey is BFICNRDNNFUAOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27F2N3O2/c21-16-5-6-18(17(22)13-16)23-19(26)14-24-11-7-15(8-12-24)20(27)25-9-3-1-2-4-10-25/h5-6,13,15H,1-4,7-12,14H2,(H,23,26).
What are the key properties of 2-[4-(azepane-1-carbonyl)piperidin-1-yl]-N-(2,4-difluorophenyl)acetamide?
2-[4-(azepane-1-carbonyl)piperidin-1-yl]-N-(2,4-difluorophenyl)acetamide has a molecular weight of 379.45 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(azepane-1-carbonyl)piperidin-1-yl]-N-(2,4-difluorophenyl)acetamide is sourced from PubChem (CID 17490744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).