N-(2,5-difluoro-4-methoxyphenyl)-4-methoxypiperidine-4-carboxamide

C14H18F2N2O3 — CID 119812880

IUPACN-(2,5-difluoro-4-methoxyphenyl)-4-methoxypiperidine-4-carboxamide
SMILESCOc1cc(F)c(NC(=O)C2(OC)CCNCC2)cc1F
InChIInChI=1S/C14H18F2N2O3/c1-20-12-8-9(15)11(7-10(12)16)18-13(19)14(21-2)3-5-17-6-4-14/h7-8,17H,3-6H2,1-2H3,(H,18,19)
InChIKeyHGPBFCLRCBIXRL-UHFFFAOYSA-N
MW300.31 g/mol
LogP1.68
Rot. Bonds4

About N-(2,5-difluoro-4-methoxyphenyl)-4-methoxypiperidine-4-carboxamide

N-(2,5-difluoro-4-methoxyphenyl)-4-methoxypiperidine-4-carboxamide (PubChem CID 119812880) has the molecular formula C14H18F2N2O3 and a molecular weight of 300.31 g/mol. Its IUPAC name is N-(2,5-difluoro-4-methoxyphenyl)-4-methoxypiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2,5-difluoro-4-methoxyphenyl)-4-methoxypiperidine-4-carboxamide
PubChem CID119812880
Molecular FormulaC14H18F2N2O3
Molecular Weight300.31 g/mol
Exact Mass300.13
IUPAC NameN-(2,5-difluoro-4-methoxyphenyl)-4-methoxypiperidine-4-carboxamide
SMILESCOc1cc(F)c(NC(=O)C2(OC)CCNCC2)cc1F
InChIInChI=1S/C14H18F2N2O3/c1-20-12-8-9(15)11(7-10(12)16)18-13(19)14(21-2)3-5-17-6-4-14/h7-8,17H,3-6H2,1-2H3,(H,18,19)
InChIKeyHGPBFCLRCBIXRL-UHFFFAOYSA-N
XLogP1.68
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,4-difluorophenyl)-4-methoxypiperidine-4-carboxamide
CID 119673285
N-(3-fluoro-4-methoxyphenyl)-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119705693
N-(4,5-dimethoxy-2-methylphenyl)-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119679109
N-[2-fluoro-5-(trifluoromethyl)phenyl]-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119705583
N-[3-fluoro-4-(2-methoxy-4-methylphenoxy)phenyl]-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119751498
N-(2,5-difluoro-4-methoxyphenyl)azetidine-3-carboxamide
CID 115158683
4-methoxy-N-(4-methoxy-2-methylphenyl)piperidine-4-carboxamide;hydrochloride
CID 119709494
N-(4-fluoro-3-methylphenyl)-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119707232
N-(3-bromo-4-fluorophenyl)-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119708380
N-(4-chloro-3-fluorophenyl)-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119708344
N-(4-cyclopentyloxy-3-fluorophenyl)-4-methoxypiperidine-4-carboxamide
CID 119806534
4-(aminomethyl)-N-(2,5-difluoro-4-methoxyphenyl)oxane-4-carboxamide;hydrochloride
CID 120936327

Frequently Asked Questions

What is the IUPAC name of N-(2,5-difluoro-4-methoxyphenyl)-4-methoxypiperidine-4-carboxamide?
The IUPAC name of N-(2,5-difluoro-4-methoxyphenyl)-4-methoxypiperidine-4-carboxamide (CID 119812880) is N-(2,5-difluoro-4-methoxyphenyl)-4-methoxypiperidine-4-carboxamide.
What is the SMILES notation for N-(2,5-difluoro-4-methoxyphenyl)-4-methoxypiperidine-4-carboxamide?
The canonical SMILES for N-(2,5-difluoro-4-methoxyphenyl)-4-methoxypiperidine-4-carboxamide is COc1cc(F)c(NC(=O)C2(OC)CCNCC2)cc1F.
What is the InChIKey of N-(2,5-difluoro-4-methoxyphenyl)-4-methoxypiperidine-4-carboxamide?
The InChIKey is HGPBFCLRCBIXRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N2O3/c1-20-12-8-9(15)11(7-10(12)16)18-13(19)14(21-2)3-5-17-6-4-14/h7-8,17H,3-6H2,1-2H3,(H,18,19).
What are the key properties of N-(2,5-difluoro-4-methoxyphenyl)-4-methoxypiperidine-4-carboxamide?
N-(2,5-difluoro-4-methoxyphenyl)-4-methoxypiperidine-4-carboxamide has a molecular weight of 300.31 g/mol, XLogP of 1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-difluoro-4-methoxyphenyl)-4-methoxypiperidine-4-carboxamide is sourced from PubChem (CID 119812880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).