N-[(R)-(4-fluorophenyl)-pyridin-4-ylmethyl]-4-methoxypiperidine-1-carboxamide

C19H22FN3O2 — CID 126424698

IUPACN-[(R)-(4-fluorophenyl)-pyridin-4-ylmethyl]-4-methoxypiperidine-1-carboxamide
SMILESCOC1CCN(C(=O)N[C@@H](c2ccncc2)c2ccc(F)cc2)CC1
InChIInChI=1S/C19H22FN3O2/c1-25-17-8-12-23(13-9-17)19(24)22-18(15-6-10-21-11-7-15)14-2-4-16(20)5-3-14/h2-7,10-11,17-18H,8-9,12-13H2,1H3,(H,22,24)/t18-/m1/s1
InChIKeyIKOXPSBYXAGBJU-GOSISDBHSA-N
MW343.40 g/mol
LogP3.13
Rot. Bonds4

About N-[(R)-(4-fluorophenyl)-pyridin-4-ylmethyl]-4-methoxypiperidine-1-carboxamide

N-[(R)-(4-fluorophenyl)-pyridin-4-ylmethyl]-4-methoxypiperidine-1-carboxamide (PubChem CID 126424698) has the molecular formula C19H22FN3O2 and a molecular weight of 343.40 g/mol. Its IUPAC name is N-[(R)-(4-fluorophenyl)-pyridin-4-ylmethyl]-4-methoxypiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(R)-(4-fluorophenyl)-pyridin-4-ylmethyl]-4-methoxypiperidine-1-carboxamide
PubChem CID126424698
Molecular FormulaC19H22FN3O2
Molecular Weight343.40 g/mol
Exact Mass343.17
IUPAC NameN-[(R)-(4-fluorophenyl)-pyridin-4-ylmethyl]-4-methoxypiperidine-1-carboxamide
SMILESCOC1CCN(C(=O)N[C@@H](c2ccncc2)c2ccc(F)cc2)CC1
InChIInChI=1S/C19H22FN3O2/c1-25-17-8-12-23(13-9-17)19(24)22-18(15-6-10-21-11-7-15)14-2-4-16(20)5-3-14/h2-7,10-11,17-18H,8-9,12-13H2,1H3,(H,22,24)/t18-/m1/s1
InChIKeyIKOXPSBYXAGBJU-GOSISDBHSA-N
XLogP3.13
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.40
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(R)-(4-fluorophenyl)-pyridin-4-ylmethyl]-3-piperidin-1-ylazetidine-1-carboxamide
CID 126441326
4,4-difluoro-N-[(4-methoxyphenyl)-pyridin-4-ylmethyl]piperidine-1-carboxamide
CID 121498449
N-[(R)-(4-fluorophenyl)-pyridin-4-ylmethyl]-2-oxo-1,8-diazaspiro[4.5]decane-8-carboxamide
CID 126425910
N-[(4-methylphenyl)-pyridin-4-ylmethyl]azepane-1-carboxamide
CID 121498350
N-benzhydryl-3-(3-methoxypyrazin-2-yl)oxypyrrolidine-1-carboxamide
CID 90637150
2-(azepan-1-yl)-N-[(4-fluorophenyl)-pyridin-4-ylmethyl]acetamide
CID 91773846
N-[(4-fluorophenyl)-pyridin-4-ylmethyl]-2-(4-methoxyphenyl)acetamide
CID 110440139
N-[(S)-cyclobutyl-(4-fluorophenyl)methyl]-4-ethoxypiperidine-1-carboxamide
CID 95573108
1-(2-amino-2-oxoethyl)-N-[(S)-(4-fluorophenyl)-pyridin-4-ylmethyl]piperidine-4-carboxamide
CID 97152357
1-N'-[(R)-(4-fluorophenyl)-pyridin-4-ylmethyl]cyclopropane-1,1-dicarboxamide
CID 99958111
4-[(4-fluorophenyl)-hydroxymethyl]-N-propan-2-ylpiperidine-1-carboxamide
CID 111109261
N-[bis(4-fluorophenyl)methyl]-4-(1-pyrrolidin-1-ylpropyl)piperazine-1-carboxamide
CID 68626796

Frequently Asked Questions

What is the IUPAC name of N-[(R)-(4-fluorophenyl)-pyridin-4-ylmethyl]-4-methoxypiperidine-1-carboxamide?
The IUPAC name of N-[(R)-(4-fluorophenyl)-pyridin-4-ylmethyl]-4-methoxypiperidine-1-carboxamide (CID 126424698) is N-[(R)-(4-fluorophenyl)-pyridin-4-ylmethyl]-4-methoxypiperidine-1-carboxamide.
What is the SMILES notation for N-[(R)-(4-fluorophenyl)-pyridin-4-ylmethyl]-4-methoxypiperidine-1-carboxamide?
The canonical SMILES for N-[(R)-(4-fluorophenyl)-pyridin-4-ylmethyl]-4-methoxypiperidine-1-carboxamide is COC1CCN(C(=O)N[C@@H](c2ccncc2)c2ccc(F)cc2)CC1.
What is the InChIKey of N-[(R)-(4-fluorophenyl)-pyridin-4-ylmethyl]-4-methoxypiperidine-1-carboxamide?
The InChIKey is IKOXPSBYXAGBJU-GOSISDBHSA-N. The full InChI is InChI=1S/C19H22FN3O2/c1-25-17-8-12-23(13-9-17)19(24)22-18(15-6-10-21-11-7-15)14-2-4-16(20)5-3-14/h2-7,10-11,17-18H,8-9,12-13H2,1H3,(H,22,24)/t18-/m1/s1.
What are the key properties of N-[(R)-(4-fluorophenyl)-pyridin-4-ylmethyl]-4-methoxypiperidine-1-carboxamide?
N-[(R)-(4-fluorophenyl)-pyridin-4-ylmethyl]-4-methoxypiperidine-1-carboxamide has a molecular weight of 343.40 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-(4-fluorophenyl)-pyridin-4-ylmethyl]-4-methoxypiperidine-1-carboxamide is sourced from PubChem (CID 126424698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).