N-[[4-(4-fluorophenoxy)phenyl]methyl]-4-methoxypiperidine-4-carboxamide

C20H23FN2O3 — CID 119696231

IUPACN-[[4-(4-fluorophenoxy)phenyl]methyl]-4-methoxypiperidine-4-carboxamide
SMILESCOC1(C(=O)NCc2ccc(Oc3ccc(F)cc3)cc2)CCNCC1
InChIInChI=1S/C20H23FN2O3/c1-25-20(10-12-22-13-11-20)19(24)23-14-15-2-6-17(7-3-15)26-18-8-4-16(21)5-9-18/h2-9,22H,10-14H2,1H3,(H,23,24)
InChIKeyKNOPJSSZWYRXMZ-UHFFFAOYSA-N
MW358.41 g/mol
LogP3.00
Rot. Bonds6

About N-[[4-(4-fluorophenoxy)phenyl]methyl]-4-methoxypiperidine-4-carboxamide

N-[[4-(4-fluorophenoxy)phenyl]methyl]-4-methoxypiperidine-4-carboxamide (PubChem CID 119696231) has the molecular formula C20H23FN2O3 and a molecular weight of 358.41 g/mol. Its IUPAC name is N-[[4-(4-fluorophenoxy)phenyl]methyl]-4-methoxypiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[[4-(4-fluorophenoxy)phenyl]methyl]-4-methoxypiperidine-4-carboxamide
PubChem CID119696231
Molecular FormulaC20H23FN2O3
Molecular Weight358.41 g/mol
Exact Mass358.17
IUPAC NameN-[[4-(4-fluorophenoxy)phenyl]methyl]-4-methoxypiperidine-4-carboxamide
SMILESCOC1(C(=O)NCc2ccc(Oc3ccc(F)cc3)cc2)CCNCC1
InChIInChI=1S/C20H23FN2O3/c1-25-20(10-12-22-13-11-20)19(24)23-14-15-2-6-17(7-3-15)26-18-8-4-16(21)5-9-18/h2-9,22H,10-14H2,1H3,(H,23,24)
InChIKeyKNOPJSSZWYRXMZ-UHFFFAOYSA-N
XLogP3.00
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.41
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-chlorophenyl)methyl]-4-methoxypiperidine-4-carboxamide
CID 119669752
4-methoxy-N-[(4-propan-2-ylphenyl)methyl]piperidine-4-carboxamide
CID 119716391
4-methoxy-N-[(6-methoxynaphthalen-2-yl)methyl]piperidine-4-carboxamide
CID 119699303
methyl 4-[4-[[(4-methoxypiperidine-4-carbonyl)amino]methyl]phenoxy]butanoate
CID 119787961
N-[(3-fluoro-4-methylphenyl)methyl]-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119697511
4-methoxy-N-[[4-(methylcarbamoyl)phenyl]methyl]piperidine-4-carboxamide;hydrochloride
CID 119712888
N-[[4-(ethoxymethyl)phenyl]methyl]-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119718289
4-methoxy-N-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 119678226
N-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-4-methoxypiperidine-4-carboxamide;dihydrochloride
CID 119896389
ethyl 4-[[(4-methoxypiperidine-4-carbonyl)amino]methyl]benzoate;hydrochloride
CID 119746522
N-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]-4-methoxypiperidine-4-carboxamide
CID 124588204
4-methoxy-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide;dihydrochloride
CID 119836245

Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-fluorophenoxy)phenyl]methyl]-4-methoxypiperidine-4-carboxamide?
The IUPAC name of N-[[4-(4-fluorophenoxy)phenyl]methyl]-4-methoxypiperidine-4-carboxamide (CID 119696231) is N-[[4-(4-fluorophenoxy)phenyl]methyl]-4-methoxypiperidine-4-carboxamide.
What is the SMILES notation for N-[[4-(4-fluorophenoxy)phenyl]methyl]-4-methoxypiperidine-4-carboxamide?
The canonical SMILES for N-[[4-(4-fluorophenoxy)phenyl]methyl]-4-methoxypiperidine-4-carboxamide is COC1(C(=O)NCc2ccc(Oc3ccc(F)cc3)cc2)CCNCC1.
What is the InChIKey of N-[[4-(4-fluorophenoxy)phenyl]methyl]-4-methoxypiperidine-4-carboxamide?
The InChIKey is KNOPJSSZWYRXMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O3/c1-25-20(10-12-22-13-11-20)19(24)23-14-15-2-6-17(7-3-15)26-18-8-4-16(21)5-9-18/h2-9,22H,10-14H2,1H3,(H,23,24).
What are the key properties of N-[[4-(4-fluorophenoxy)phenyl]methyl]-4-methoxypiperidine-4-carboxamide?
N-[[4-(4-fluorophenoxy)phenyl]methyl]-4-methoxypiperidine-4-carboxamide has a molecular weight of 358.41 g/mol, XLogP of 3.00, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-fluorophenoxy)phenyl]methyl]-4-methoxypiperidine-4-carboxamide is sourced from PubChem (CID 119696231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).