N-[3-fluoro-4-(2-methoxy-4-methylphenoxy)phenyl]-4-methoxypiperidine-4-carboxamide;hydrochloride

C21H26ClFN2O4 — CID 119751498

IUPACN-[3-fluoro-4-(2-methoxy-4-methylphenoxy)phenyl]-4-methoxypiperidine-4-carboxamide;hydrochloride
SMILESCOc1cc(C)ccc1Oc1ccc(NC(=O)C2(OC)CCNCC2)cc1F.Cl
InChIInChI=1S/C21H25FN2O4.ClH/c1-14-4-6-18(19(12-14)26-2)28-17-7-5-15(13-16(17)22)24-20(25)21(27-3)8-10-23-11-9-21;/h4-7,12-13,23H,8-11H2,1-3H3,(H,24,25);1H
InChIKeyWKHZXBNITJVOTF-UHFFFAOYSA-N
MW424.90 g/mol
LogP4.06
Rot. Bonds6

About N-[3-fluoro-4-(2-methoxy-4-methylphenoxy)phenyl]-4-methoxypiperidine-4-carboxamide;hydrochloride

N-[3-fluoro-4-(2-methoxy-4-methylphenoxy)phenyl]-4-methoxypiperidine-4-carboxamide;hydrochloride (PubChem CID 119751498) has the molecular formula C21H26ClFN2O4 and a molecular weight of 424.90 g/mol. Its IUPAC name is N-[3-fluoro-4-(2-methoxy-4-methylphenoxy)phenyl]-4-methoxypiperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-fluoro-4-(2-methoxy-4-methylphenoxy)phenyl]-4-methoxypiperidine-4-carboxamide;hydrochloride
PubChem CID119751498
Molecular FormulaC21H26ClFN2O4
Molecular Weight424.90 g/mol
Exact Mass424.16
IUPAC NameN-[3-fluoro-4-(2-methoxy-4-methylphenoxy)phenyl]-4-methoxypiperidine-4-carboxamide;hydrochloride
SMILESCOc1cc(C)ccc1Oc1ccc(NC(=O)C2(OC)CCNCC2)cc1F.Cl
InChIInChI=1S/C21H25FN2O4.ClH/c1-14-4-6-18(19(12-14)26-2)28-17-7-5-15(13-16(17)22)24-20(25)21(27-3)8-10-23-11-9-21;/h4-7,12-13,23H,8-11H2,1-3H3,(H,24,25);1H
InChIKeyWKHZXBNITJVOTF-UHFFFAOYSA-N
XLogP4.06
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.90
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-fluoro-4-methoxyphenyl)-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119705693
N-(4-fluoro-3-methylphenyl)-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119707232
4-methoxy-N-(4-methylphenyl)piperidine-4-carboxamide;hydrochloride
CID 119670964
N-(4-chloro-3-fluorophenyl)-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119708344
N-(3,4-dimethylphenyl)-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119670646
N-(4-cyclopentyloxy-3-fluorophenyl)-4-methoxypiperidine-4-carboxamide
CID 119806534
N-(3-bromo-4-fluorophenyl)-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119708380
N-[3-fluoro-4-(2-methoxy-4-methylphenoxy)phenyl]piperidine-3-carboxamide;hydrochloride
CID 119304870
N-(2,5-difluoro-4-methoxyphenyl)-4-methoxypiperidine-4-carboxamide
CID 119812880
4-methoxy-N-(4-methoxyphenyl)piperidine-4-carboxamide;hydrochloride
CID 119671002
N-(4,5-dimethoxy-2-methylphenyl)-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119679109
N-(4-chlorophenyl)-4-methoxypiperidine-4-carboxamide
CID 119671235

Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-4-(2-methoxy-4-methylphenoxy)phenyl]-4-methoxypiperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-[3-fluoro-4-(2-methoxy-4-methylphenoxy)phenyl]-4-methoxypiperidine-4-carboxamide;hydrochloride (CID 119751498) is N-[3-fluoro-4-(2-methoxy-4-methylphenoxy)phenyl]-4-methoxypiperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[3-fluoro-4-(2-methoxy-4-methylphenoxy)phenyl]-4-methoxypiperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-[3-fluoro-4-(2-methoxy-4-methylphenoxy)phenyl]-4-methoxypiperidine-4-carboxamide;hydrochloride is COc1cc(C)ccc1Oc1ccc(NC(=O)C2(OC)CCNCC2)cc1F.Cl.
What is the InChIKey of N-[3-fluoro-4-(2-methoxy-4-methylphenoxy)phenyl]-4-methoxypiperidine-4-carboxamide;hydrochloride?
The InChIKey is WKHZXBNITJVOTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN2O4.ClH/c1-14-4-6-18(19(12-14)26-2)28-17-7-5-15(13-16(17)22)24-20(25)21(27-3)8-10-23-11-9-21;/h4-7,12-13,23H,8-11H2,1-3H3,(H,24,25);1H.
What are the key properties of N-[3-fluoro-4-(2-methoxy-4-methylphenoxy)phenyl]-4-methoxypiperidine-4-carboxamide;hydrochloride?
N-[3-fluoro-4-(2-methoxy-4-methylphenoxy)phenyl]-4-methoxypiperidine-4-carboxamide;hydrochloride has a molecular weight of 424.90 g/mol, XLogP of 4.06, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-fluoro-4-(2-methoxy-4-methylphenoxy)phenyl]-4-methoxypiperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119751498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).