N-[3-[(3-fluorophenyl)methoxy]phenyl]-4-(methoxymethyl)piperidine-4-carboxamide

C21H25FN2O3 — CID 120624422

IUPACN-[3-[(3-fluorophenyl)methoxy]phenyl]-4-(methoxymethyl)piperidine-4-carboxamide
SMILESCOCC1(C(=O)Nc2cccc(OCc3cccc(F)c3)c2)CCNCC1
InChIInChI=1S/C21H25FN2O3/c1-26-15-21(8-10-23-11-9-21)20(25)24-18-6-3-7-19(13-18)27-14-16-4-2-5-17(22)12-16/h2-7,12-13,23H,8-11,14-15H2,1H3,(H,24,25)
InChIKeyCZYLKOIAKCHLBY-UHFFFAOYSA-N
MW372.44 g/mol
LogP3.36
Rot. Bonds7

About N-[3-[(3-fluorophenyl)methoxy]phenyl]-4-(methoxymethyl)piperidine-4-carboxamide

N-[3-[(3-fluorophenyl)methoxy]phenyl]-4-(methoxymethyl)piperidine-4-carboxamide (PubChem CID 120624422) has the molecular formula C21H25FN2O3 and a molecular weight of 372.44 g/mol. Its IUPAC name is N-[3-[(3-fluorophenyl)methoxy]phenyl]-4-(methoxymethyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-[(3-fluorophenyl)methoxy]phenyl]-4-(methoxymethyl)piperidine-4-carboxamide
PubChem CID120624422
Molecular FormulaC21H25FN2O3
Molecular Weight372.44 g/mol
Exact Mass372.18
IUPAC NameN-[3-[(3-fluorophenyl)methoxy]phenyl]-4-(methoxymethyl)piperidine-4-carboxamide
SMILESCOCC1(C(=O)Nc2cccc(OCc3cccc(F)c3)c2)CCNCC1
InChIInChI=1S/C21H25FN2O3/c1-26-15-21(8-10-23-11-9-21)20(25)24-18-6-3-7-19(13-18)27-14-16-4-2-5-17(22)12-16/h2-7,12-13,23H,8-11,14-15H2,1H3,(H,24,25)
InChIKeyCZYLKOIAKCHLBY-UHFFFAOYSA-N
XLogP3.36
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.44
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[(3-fluorophenyl)methoxy]-2-methylphenyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120630833
4-(methoxymethyl)-N-[3-(3-methoxypropoxy)phenyl]piperidine-4-carboxamide;hydrochloride
CID 120638200
N-[3-(ethoxymethyl)phenyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120630241
4-(methoxymethyl)-N-[3-[(4-methoxyphenyl)methoxymethyl]phenyl]piperidine-4-carboxamide
CID 120626262
N-[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120621139
N-(3-cyclopentyloxyphenyl)-4-(methoxymethyl)piperidine-4-carboxamide
CID 120621286
N-[2-(3-acetamidophenoxy)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120631171
4-(methoxymethyl)-N-[3-(2-propan-2-yloxyethoxymethyl)phenyl]piperidine-4-carboxamide
CID 120626246
N-[3-(difluoromethyl)phenyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120630102
N-(3-anilinophenyl)-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120622758
4-(methoxymethyl)-N-[3-(methylcarbamoylamino)phenyl]piperidine-4-carboxamide;hydrochloride
CID 120619753
1-[3-[(4-fluorophenyl)methoxy]phenyl]-3-[[4-(methoxymethyl)phenyl]methyl]urea
CID 55697541

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3-fluorophenyl)methoxy]phenyl]-4-(methoxymethyl)piperidine-4-carboxamide?
The IUPAC name of N-[3-[(3-fluorophenyl)methoxy]phenyl]-4-(methoxymethyl)piperidine-4-carboxamide (CID 120624422) is N-[3-[(3-fluorophenyl)methoxy]phenyl]-4-(methoxymethyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[3-[(3-fluorophenyl)methoxy]phenyl]-4-(methoxymethyl)piperidine-4-carboxamide?
The canonical SMILES for N-[3-[(3-fluorophenyl)methoxy]phenyl]-4-(methoxymethyl)piperidine-4-carboxamide is COCC1(C(=O)Nc2cccc(OCc3cccc(F)c3)c2)CCNCC1.
What is the InChIKey of N-[3-[(3-fluorophenyl)methoxy]phenyl]-4-(methoxymethyl)piperidine-4-carboxamide?
The InChIKey is CZYLKOIAKCHLBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN2O3/c1-26-15-21(8-10-23-11-9-21)20(25)24-18-6-3-7-19(13-18)27-14-16-4-2-5-17(22)12-16/h2-7,12-13,23H,8-11,14-15H2,1H3,(H,24,25).
What are the key properties of N-[3-[(3-fluorophenyl)methoxy]phenyl]-4-(methoxymethyl)piperidine-4-carboxamide?
N-[3-[(3-fluorophenyl)methoxy]phenyl]-4-(methoxymethyl)piperidine-4-carboxamide has a molecular weight of 372.44 g/mol, XLogP of 3.36, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3-fluorophenyl)methoxy]phenyl]-4-(methoxymethyl)piperidine-4-carboxamide is sourced from PubChem (CID 120624422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).