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

C18H26F2N2O4 — CID 119810510

IUPACN-[[2-(difluoromethoxy)-4-propoxyphenyl]methyl]-4-methoxypiperidine-4-carboxamide
SMILESCCCOc1ccc(CNC(=O)C2(OC)CCNCC2)c(OC(F)F)c1
InChIInChI=1S/C18H26F2N2O4/c1-3-10-25-14-5-4-13(15(11-14)26-17(19)20)12-22-16(23)18(24-2)6-8-21-9-7-18/h4-5,11,17,21H,3,6-10,12H2,1-2H3,(H,22,23)
InChIKeyFNXXZCXMFXBCCY-UHFFFAOYSA-N
MW372.41 g/mol
LogP2.46
Rot. Bonds9

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

N-[[2-(difluoromethoxy)-4-propoxyphenyl]methyl]-4-methoxypiperidine-4-carboxamide (PubChem CID 119810510) has the molecular formula C18H26F2N2O4 and a molecular weight of 372.41 g/mol. Its IUPAC name is N-[[2-(difluoromethoxy)-4-propoxyphenyl]methyl]-4-methoxypiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[[2-(difluoromethoxy)-4-propoxyphenyl]methyl]-4-methoxypiperidine-4-carboxamide
PubChem CID119810510
Molecular FormulaC18H26F2N2O4
Molecular Weight372.41 g/mol
Exact Mass372.19
IUPAC NameN-[[2-(difluoromethoxy)-4-propoxyphenyl]methyl]-4-methoxypiperidine-4-carboxamide
SMILESCCCOc1ccc(CNC(=O)C2(OC)CCNCC2)c(OC(F)F)c1
InChIInChI=1S/C18H26F2N2O4/c1-3-10-25-14-5-4-13(15(11-14)26-17(19)20)12-22-16(23)18(24-2)6-8-21-9-7-18/h4-5,11,17,21H,3,6-10,12H2,1-2H3,(H,22,23)
InChIKeyFNXXZCXMFXBCCY-UHFFFAOYSA-N
XLogP2.46
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.41
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-amino-N-[[2-(difluoromethoxy)-4-propoxyphenyl]methyl]cyclopentane-1-carboxamide
CID 119338913
N-[[2-(difluoromethoxy)phenyl]methyl]-4-methoxypiperidine-4-carboxamide
CID 119700383
1-amino-N-[[2-(difluoromethoxy)-4-propoxyphenyl]methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119338922
N-[[2-(difluoromethoxy)-4-propoxyphenyl]methyl]piperidine-3-carboxamide
CID 119338921
2-amino-N-[[2-(difluoromethoxy)-4-propoxyphenyl]methyl]-3-methoxypropanamide;hydrochloride
CID 120992652
(2R)-2-amino-N-[[2-(difluoromethoxy)-4-propoxyphenyl]methyl]propanamide;hydrochloride
CID 119338916
4-methoxy-N-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]piperidine-4-carboxamide
CID 119744427
methyl 4-[4-[[(4-methoxypiperidine-4-carbonyl)amino]methyl]phenoxy]butanoate
CID 119787961
4-methoxy-N-[(4-methyl-2-methylsulfanylphenyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 119811691
4-methoxy-N-[2-(4-methoxyphenoxy)ethyl]piperidine-4-carboxamide
CID 119694181
1-[[2-(difluoromethoxy)-4-propoxyphenyl]methylcarbamoyl]piperidine-3-carboxylic acid
CID 122006625
N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119735567

Frequently Asked Questions

What is the IUPAC name of N-[[2-(difluoromethoxy)-4-propoxyphenyl]methyl]-4-methoxypiperidine-4-carboxamide?
The IUPAC name of N-[[2-(difluoromethoxy)-4-propoxyphenyl]methyl]-4-methoxypiperidine-4-carboxamide (CID 119810510) is N-[[2-(difluoromethoxy)-4-propoxyphenyl]methyl]-4-methoxypiperidine-4-carboxamide.
What is the SMILES notation for N-[[2-(difluoromethoxy)-4-propoxyphenyl]methyl]-4-methoxypiperidine-4-carboxamide?
The canonical SMILES for N-[[2-(difluoromethoxy)-4-propoxyphenyl]methyl]-4-methoxypiperidine-4-carboxamide is CCCOc1ccc(CNC(=O)C2(OC)CCNCC2)c(OC(F)F)c1.
What is the InChIKey of N-[[2-(difluoromethoxy)-4-propoxyphenyl]methyl]-4-methoxypiperidine-4-carboxamide?
The InChIKey is FNXXZCXMFXBCCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26F2N2O4/c1-3-10-25-14-5-4-13(15(11-14)26-17(19)20)12-22-16(23)18(24-2)6-8-21-9-7-18/h4-5,11,17,21H,3,6-10,12H2,1-2H3,(H,22,23).
What are the key properties of N-[[2-(difluoromethoxy)-4-propoxyphenyl]methyl]-4-methoxypiperidine-4-carboxamide?
N-[[2-(difluoromethoxy)-4-propoxyphenyl]methyl]-4-methoxypiperidine-4-carboxamide has a molecular weight of 372.41 g/mol, XLogP of 2.46, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(difluoromethoxy)-4-propoxyphenyl]methyl]-4-methoxypiperidine-4-carboxamide is sourced from PubChem (CID 119810510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).