2-[4-[[2-(4,4-difluoropiperidin-1-yl)acetyl]amino]phenyl]ethylcarbamic acid

C16H21F2N3O3 — CID 166791857

IUPAC2-[4-[[2-(4,4-difluoropiperidin-1-yl)acetyl]amino]phenyl]ethylcarbamic acid
SMILESO=C(O)NCCc1ccc(NC(=O)CN2CCC(F)(F)CC2)cc1
InChIInChI=1S/C16H21F2N3O3/c17-16(18)6-9-21(10-7-16)11-14(22)20-13-3-1-12(2-4-13)5-8-19-15(23)24/h1-4,19H,5-11H2,(H,20,22)(H,23,24)
InChIKeyBPCAVTXTGRJXJH-UHFFFAOYSA-N
MW341.36 g/mol
LogP2.17
Rot. Bonds6

About 2-[4-[[2-(4,4-difluoropiperidin-1-yl)acetyl]amino]phenyl]ethylcarbamic acid

2-[4-[[2-(4,4-difluoropiperidin-1-yl)acetyl]amino]phenyl]ethylcarbamic acid (PubChem CID 166791857) has the molecular formula C16H21F2N3O3 and a molecular weight of 341.36 g/mol. Its IUPAC name is 2-[4-[[2-(4,4-difluoropiperidin-1-yl)acetyl]amino]phenyl]ethylcarbamic acid.

Molecular Properties

Compound Name2-[4-[[2-(4,4-difluoropiperidin-1-yl)acetyl]amino]phenyl]ethylcarbamic acid
PubChem CID166791857
Molecular FormulaC16H21F2N3O3
Molecular Weight341.36 g/mol
Exact Mass341.16
IUPAC Name2-[4-[[2-(4,4-difluoropiperidin-1-yl)acetyl]amino]phenyl]ethylcarbamic acid
SMILESO=C(O)NCCc1ccc(NC(=O)CN2CCC(F)(F)CC2)cc1
InChIInChI=1S/C16H21F2N3O3/c17-16(18)6-9-21(10-7-16)11-14(22)20-13-3-1-12(2-4-13)5-8-19-15(23)24/h1-4,19H,5-11H2,(H,20,22)(H,23,24)
InChIKeyBPCAVTXTGRJXJH-UHFFFAOYSA-N
XLogP2.17
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.36
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-[[2-(4,4-difluoropiperidin-1-yl)acetyl]amino]benzoate
CID 171701426
N-[2-(4-methoxyphenyl)ethyl]-1-[2-(4-methylanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 16809626
4-[2-[(4,4-difluoropiperidine-1-carbonyl)amino]ethyl]benzoic acid
CID 166240238
2-[4-[(1-methylpiperidine-4-carbonyl)amino]phenyl]ethylcarbamic acid
CID 166791824
N-(3,4-dimethylphenyl)-2-(4-hydroxy-4-methylpiperidin-1-yl)acetamide
CID 80701697
N-(4-methylphenyl)-2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 22194960
2-[4-methyl-4-(methylamino)piperidin-1-yl]-N-(4-methylphenyl)acetamide
CID 115305331
2-(3-hydroxy-3-methylpyrrolidin-1-yl)-N-(4-methylphenyl)acetamide
CID 103728385
3-(4-methylphenyl)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]propanamide
CID 37154032
1-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-(2-phenylethyl)piperidine-4-carboxamide
CID 16909938
2-[4-[(3,4-dihydroxypyrrolidin-1-yl)methyl]phenyl]ethylcarbamic acid
CID 67217636
2-(azepan-1-yl)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 644372

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[2-(4,4-difluoropiperidin-1-yl)acetyl]amino]phenyl]ethylcarbamic acid?
The IUPAC name of 2-[4-[[2-(4,4-difluoropiperidin-1-yl)acetyl]amino]phenyl]ethylcarbamic acid (CID 166791857) is 2-[4-[[2-(4,4-difluoropiperidin-1-yl)acetyl]amino]phenyl]ethylcarbamic acid.
What is the SMILES notation for 2-[4-[[2-(4,4-difluoropiperidin-1-yl)acetyl]amino]phenyl]ethylcarbamic acid?
The canonical SMILES for 2-[4-[[2-(4,4-difluoropiperidin-1-yl)acetyl]amino]phenyl]ethylcarbamic acid is O=C(O)NCCc1ccc(NC(=O)CN2CCC(F)(F)CC2)cc1.
What is the InChIKey of 2-[4-[[2-(4,4-difluoropiperidin-1-yl)acetyl]amino]phenyl]ethylcarbamic acid?
The InChIKey is BPCAVTXTGRJXJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F2N3O3/c17-16(18)6-9-21(10-7-16)11-14(22)20-13-3-1-12(2-4-13)5-8-19-15(23)24/h1-4,19H,5-11H2,(H,20,22)(H,23,24).
What are the key properties of 2-[4-[[2-(4,4-difluoropiperidin-1-yl)acetyl]amino]phenyl]ethylcarbamic acid?
2-[4-[[2-(4,4-difluoropiperidin-1-yl)acetyl]amino]phenyl]ethylcarbamic acid has a molecular weight of 341.36 g/mol, XLogP of 2.17, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[2-(4,4-difluoropiperidin-1-yl)acetyl]amino]phenyl]ethylcarbamic acid is sourced from PubChem (CID 166791857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).