N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]piperidine-3-carboxamide

C16H22F2N2O3 — CID 119285299

IUPACN-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]piperidine-3-carboxamide
SMILESCCOc1cc(CNC(=O)C2CCCNC2)ccc1OC(F)F
InChIInChI=1S/C16H22F2N2O3/c1-2-22-14-8-11(5-6-13(14)23-16(17)18)9-20-15(21)12-4-3-7-19-10-12/h5-6,8,12,16,19H,2-4,7,9-10H2,1H3,(H,20,21)
InChIKeyZZERKUUUIAGQST-UHFFFAOYSA-N
MW328.36 g/mol
LogP2.30
Rot. Bonds7

About N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]piperidine-3-carboxamide

N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]piperidine-3-carboxamide (PubChem CID 119285299) has the molecular formula C16H22F2N2O3 and a molecular weight of 328.36 g/mol. Its IUPAC name is N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]piperidine-3-carboxamide
PubChem CID119285299
Molecular FormulaC16H22F2N2O3
Molecular Weight328.36 g/mol
Exact Mass328.16
IUPAC NameN-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]piperidine-3-carboxamide
SMILESCCOc1cc(CNC(=O)C2CCCNC2)ccc1OC(F)F
InChIInChI=1S/C16H22F2N2O3/c1-2-22-14-8-11(5-6-13(14)23-16(17)18)9-20-15(21)12-4-3-7-19-10-12/h5-6,8,12,16,19H,2-4,7,9-10H2,1H3,(H,20,21)
InChIKeyZZERKUUUIAGQST-UHFFFAOYSA-N
XLogP2.30
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.36
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-butoxy-3-methoxyphenyl)methyl]piperidine-3-carboxamide;hydrochloride
CID 119284599
N-[[2-(difluoromethoxy)-4-propoxyphenyl]methyl]piperidine-3-carboxamide
CID 119338921
N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119285270
N-[(3-ethoxy-4-methoxyphenyl)methyl]cyclopentanecarboxamide
CID 99133680
(3S)-N-[(4-ethylphenyl)methyl]piperidine-3-carboxamide
CID 94688914
N-[(4-ethoxy-3-methylphenyl)methyl]azetidine-3-carboxamide
CID 115158856
N-[[3-(difluoromethoxy)phenyl]methyl]pyrrolidine-3-carboxamide
CID 119763033
1-N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]piperidine-1,4-dicarboxamide
CID 47065802
N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 18073073
(3R)-N-[(4-propan-2-ylphenyl)methyl]piperidine-3-carboxamide
CID 81139149
(3S)-N-[2-[4-(difluoromethoxy)phenyl]ethyl]piperidine-3-carboxamide
CID 81133526
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]pyrrolidine-2-carboxamide
CID 119285265

Frequently Asked Questions

What is the IUPAC name of N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]piperidine-3-carboxamide?
The IUPAC name of N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]piperidine-3-carboxamide (CID 119285299) is N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]piperidine-3-carboxamide.
What is the SMILES notation for N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]piperidine-3-carboxamide?
The canonical SMILES for N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]piperidine-3-carboxamide is CCOc1cc(CNC(=O)C2CCCNC2)ccc1OC(F)F.
What is the InChIKey of N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]piperidine-3-carboxamide?
The InChIKey is ZZERKUUUIAGQST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F2N2O3/c1-2-22-14-8-11(5-6-13(14)23-16(17)18)9-20-15(21)12-4-3-7-19-10-12/h5-6,8,12,16,19H,2-4,7,9-10H2,1H3,(H,20,21).
What are the key properties of N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]piperidine-3-carboxamide?
N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]piperidine-3-carboxamide has a molecular weight of 328.36 g/mol, XLogP of 2.30, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]piperidine-3-carboxamide is sourced from PubChem (CID 119285299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).