N-[[2-(difluoromethoxy)-4-propoxyphenyl]methyl]piperidine-3-carboxamide

C17H24F2N2O3 — CID 119338921

IUPACN-[[2-(difluoromethoxy)-4-propoxyphenyl]methyl]piperidine-3-carboxamide
SMILESCCCOc1ccc(CNC(=O)C2CCCNC2)c(OC(F)F)c1
InChIInChI=1S/C17H24F2N2O3/c1-2-8-23-14-6-5-12(15(9-14)24-17(18)19)11-21-16(22)13-4-3-7-20-10-13/h5-6,9,13,17,20H,2-4,7-8,10-11H2,1H3,(H,21,22)
InChIKeyMDYFMLHFUMONHR-UHFFFAOYSA-N
MW342.39 g/mol
LogP2.69
Rot. Bonds8

About N-[[2-(difluoromethoxy)-4-propoxyphenyl]methyl]piperidine-3-carboxamide

N-[[2-(difluoromethoxy)-4-propoxyphenyl]methyl]piperidine-3-carboxamide (PubChem CID 119338921) has the molecular formula C17H24F2N2O3 and a molecular weight of 342.39 g/mol. Its IUPAC name is N-[[2-(difluoromethoxy)-4-propoxyphenyl]methyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[[2-(difluoromethoxy)-4-propoxyphenyl]methyl]piperidine-3-carboxamide
PubChem CID119338921
Molecular FormulaC17H24F2N2O3
Molecular Weight342.39 g/mol
Exact Mass342.18
IUPAC NameN-[[2-(difluoromethoxy)-4-propoxyphenyl]methyl]piperidine-3-carboxamide
SMILESCCCOc1ccc(CNC(=O)C2CCCNC2)c(OC(F)F)c1
InChIInChI=1S/C17H24F2N2O3/c1-2-8-23-14-6-5-12(15(9-14)24-17(18)19)11-21-16(22)13-4-3-7-20-10-13/h5-6,9,13,17,20H,2-4,7-8,10-11H2,1H3,(H,21,22)
InChIKeyMDYFMLHFUMONHR-UHFFFAOYSA-N
XLogP2.69
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.39
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-N-[[2,4-bis(difluoromethoxy)phenyl]methyl]pyrrolidine-3-carboxamide
CID 124741336
N-[(2,4-dimethoxyphenyl)methyl]piperidine-3-carboxamide
CID 63362624
1-[[2-(difluoromethoxy)-4-propoxyphenyl]methylcarbamoyl]piperidine-3-carboxylic acid
CID 122006625
N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]piperidine-3-carboxamide
CID 119285299
1-amino-N-[[2-(difluoromethoxy)-4-propoxyphenyl]methyl]cyclopentane-1-carboxamide
CID 119338913
N-[(2-butan-2-yloxy-4-methylphenyl)methyl]piperidine-3-carboxamide;hydrochloride
CID 119339576
N-[[2-(difluoromethoxy)-4-propoxyphenyl]methyl]-4-methoxypiperidine-4-carboxamide
CID 119810510
(2S)-N-[[2,4-bis(difluoromethoxy)phenyl]methyl]pyrrolidine-2-carboxamide
CID 84588646
(2R)-2-amino-N-[[2-(difluoromethoxy)-4-propoxyphenyl]methyl]propanamide;hydrochloride
CID 119338916
(3S)-N-[(2,5-dimethoxyphenyl)methyl]piperidine-3-carboxamide
CID 81140138
N-[[2-(2-ethoxyethoxy)-4-methylphenyl]methyl]piperidine-3-carboxamide
CID 119339437
2-amino-N-[[2-(difluoromethoxy)-4-propoxyphenyl]methyl]-3-methoxypropanamide;hydrochloride
CID 120992652

Frequently Asked Questions

What is the IUPAC name of N-[[2-(difluoromethoxy)-4-propoxyphenyl]methyl]piperidine-3-carboxamide?
The IUPAC name of N-[[2-(difluoromethoxy)-4-propoxyphenyl]methyl]piperidine-3-carboxamide (CID 119338921) is N-[[2-(difluoromethoxy)-4-propoxyphenyl]methyl]piperidine-3-carboxamide.
What is the SMILES notation for N-[[2-(difluoromethoxy)-4-propoxyphenyl]methyl]piperidine-3-carboxamide?
The canonical SMILES for N-[[2-(difluoromethoxy)-4-propoxyphenyl]methyl]piperidine-3-carboxamide is CCCOc1ccc(CNC(=O)C2CCCNC2)c(OC(F)F)c1.
What is the InChIKey of N-[[2-(difluoromethoxy)-4-propoxyphenyl]methyl]piperidine-3-carboxamide?
The InChIKey is MDYFMLHFUMONHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F2N2O3/c1-2-8-23-14-6-5-12(15(9-14)24-17(18)19)11-21-16(22)13-4-3-7-20-10-13/h5-6,9,13,17,20H,2-4,7-8,10-11H2,1H3,(H,21,22).
What are the key properties of N-[[2-(difluoromethoxy)-4-propoxyphenyl]methyl]piperidine-3-carboxamide?
N-[[2-(difluoromethoxy)-4-propoxyphenyl]methyl]piperidine-3-carboxamide has a molecular weight of 342.39 g/mol, XLogP of 2.69, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(difluoromethoxy)-4-propoxyphenyl]methyl]piperidine-3-carboxamide is sourced from PubChem (CID 119338921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).