N-(2,2-difluoro-1,3-benzodioxol-5-yl)-3-hydroxypiperidine-1-carboxamide

C13H14F2N2O4 — CID 75461125

IUPACN-(2,2-difluoro-1,3-benzodioxol-5-yl)-3-hydroxypiperidine-1-carboxamide
SMILESO=C(Nc1ccc2c(c1)OC(F)(F)O2)N1CCCC(O)C1
InChIInChI=1S/C13H14F2N2O4/c14-13(15)20-10-4-3-8(6-11(10)21-13)16-12(19)17-5-1-2-9(18)7-17/h3-4,6,9,18H,1-2,5,7H2,(H,16,19)
InChIKeyFXZKBRKFQXRLRY-UHFFFAOYSA-N
MW300.26 g/mol
LogP2.00
Rot. Bonds1

About N-(2,2-difluoro-1,3-benzodioxol-5-yl)-3-hydroxypiperidine-1-carboxamide

N-(2,2-difluoro-1,3-benzodioxol-5-yl)-3-hydroxypiperidine-1-carboxamide (PubChem CID 75461125) has the molecular formula C13H14F2N2O4 and a molecular weight of 300.26 g/mol. Its IUPAC name is N-(2,2-difluoro-1,3-benzodioxol-5-yl)-3-hydroxypiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoro-1,3-benzodioxol-5-yl)-3-hydroxypiperidine-1-carboxamide
PubChem CID75461125
Molecular FormulaC13H14F2N2O4
Molecular Weight300.26 g/mol
Exact Mass300.09
IUPAC NameN-(2,2-difluoro-1,3-benzodioxol-5-yl)-3-hydroxypiperidine-1-carboxamide
SMILESO=C(Nc1ccc2c(c1)OC(F)(F)O2)N1CCCC(O)C1
InChIInChI=1S/C13H14F2N2O4/c14-13(15)20-10-4-3-8(6-11(10)21-13)16-12(19)17-5-1-2-9(18)7-17/h3-4,6,9,18H,1-2,5,7H2,(H,16,19)
InChIKeyFXZKBRKFQXRLRY-UHFFFAOYSA-N
XLogP2.00
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.26
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-propanoyl-1,4-diazepane-1-carboxamide
CID 166188024
N-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-[(1S)-1-hydroxyethyl]piperidine-1-carboxamide
CID 95312643
N-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-(thian-4-yl)piperazine-1-carboxamide
CID 118785955
4-benzoyl-N-(2,2-difluoro-1,3-benzodioxol-5-yl)piperidine-1-carboxamide
CID 71895897
(3R)-N-(3,4-dichlorophenyl)-3-hydroxypiperidine-1-carboxamide
CID 40973267
3-hydroxy-N-[4-methyl-3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 110891069
4-[(3-hydroxypiperidine-1-carbonyl)amino]benzoic acid
CID 61439140
N-(3-chlorophenyl)-3-hydroxypiperidine-1-carboxamide
CID 17392993
(3R)-N-(3-chloro-4-piperidin-1-ylphenyl)-3-hydroxypiperidine-1-carboxamide
CID 94819719
3-hydroxy-N-(2-methyl-1,3-benzothiazol-6-yl)piperidine-1-carboxamide
CID 110890733
methyl 1-[(2-ethyl-2-methyl-1,3-benzodioxol-5-yl)carbamoyl]piperidine-3-carboxylate
CID 122150628
(3S)-3-hydroxy-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide
CID 107224975

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoro-1,3-benzodioxol-5-yl)-3-hydroxypiperidine-1-carboxamide?
The IUPAC name of N-(2,2-difluoro-1,3-benzodioxol-5-yl)-3-hydroxypiperidine-1-carboxamide (CID 75461125) is N-(2,2-difluoro-1,3-benzodioxol-5-yl)-3-hydroxypiperidine-1-carboxamide.
What is the SMILES notation for N-(2,2-difluoro-1,3-benzodioxol-5-yl)-3-hydroxypiperidine-1-carboxamide?
The canonical SMILES for N-(2,2-difluoro-1,3-benzodioxol-5-yl)-3-hydroxypiperidine-1-carboxamide is O=C(Nc1ccc2c(c1)OC(F)(F)O2)N1CCCC(O)C1.
What is the InChIKey of N-(2,2-difluoro-1,3-benzodioxol-5-yl)-3-hydroxypiperidine-1-carboxamide?
The InChIKey is FXZKBRKFQXRLRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2N2O4/c14-13(15)20-10-4-3-8(6-11(10)21-13)16-12(19)17-5-1-2-9(18)7-17/h3-4,6,9,18H,1-2,5,7H2,(H,16,19).
What are the key properties of N-(2,2-difluoro-1,3-benzodioxol-5-yl)-3-hydroxypiperidine-1-carboxamide?
N-(2,2-difluoro-1,3-benzodioxol-5-yl)-3-hydroxypiperidine-1-carboxamide has a molecular weight of 300.26 g/mol, XLogP of 2.00, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoro-1,3-benzodioxol-5-yl)-3-hydroxypiperidine-1-carboxamide is sourced from PubChem (CID 75461125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).