4,4-difluoro-N-[(4-methoxyphenyl)-pyridin-4-ylmethyl]piperidine-1-carboxamide

C19H21F2N3O2 — CID 121498449

IUPAC4,4-difluoro-N-[(4-methoxyphenyl)-pyridin-4-ylmethyl]piperidine-1-carboxamide
SMILESCOc1ccc(C(NC(=O)N2CCC(F)(F)CC2)c2ccncc2)cc1
InChIInChI=1S/C19H21F2N3O2/c1-26-16-4-2-14(3-5-16)17(15-6-10-22-11-7-15)23-18(25)24-12-8-19(20,21)9-13-24/h2-7,10-11,17H,8-9,12-13H2,1H3,(H,23,25)
InChIKeyJXLMBAAIZWWSMB-UHFFFAOYSA-N
MW361.39 g/mol
LogP3.62
Rot. Bonds4

About 4,4-difluoro-N-[(4-methoxyphenyl)-pyridin-4-ylmethyl]piperidine-1-carboxamide

4,4-difluoro-N-[(4-methoxyphenyl)-pyridin-4-ylmethyl]piperidine-1-carboxamide (PubChem CID 121498449) has the molecular formula C19H21F2N3O2 and a molecular weight of 361.39 g/mol. Its IUPAC name is 4,4-difluoro-N-[(4-methoxyphenyl)-pyridin-4-ylmethyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4,4-difluoro-N-[(4-methoxyphenyl)-pyridin-4-ylmethyl]piperidine-1-carboxamide
PubChem CID121498449
Molecular FormulaC19H21F2N3O2
Molecular Weight361.39 g/mol
Exact Mass361.16
IUPAC Name4,4-difluoro-N-[(4-methoxyphenyl)-pyridin-4-ylmethyl]piperidine-1-carboxamide
SMILESCOc1ccc(C(NC(=O)N2CCC(F)(F)CC2)c2ccncc2)cc1
InChIInChI=1S/C19H21F2N3O2/c1-26-16-4-2-14(3-5-16)17(15-6-10-22-11-7-15)23-18(25)24-12-8-19(20,21)9-13-24/h2-7,10-11,17H,8-9,12-13H2,1H3,(H,23,25)
InChIKeyJXLMBAAIZWWSMB-UHFFFAOYSA-N
XLogP3.62
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.39
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(S)-(4-methoxyphenyl)-pyridin-4-ylmethyl]-3-(1-methylcyclobutyl)urea
CID 126423150
N-[(R)-(4-fluorophenyl)-pyridin-4-ylmethyl]-4-methoxypiperidine-1-carboxamide
CID 126424698
4-(4-methoxyphenyl)sulfonyl-N-[(1R)-1-pyridin-4-ylethyl]piperazine-1-carboxamide
CID 33433764
1-(4-fluorophenyl)-N-[(R)-(4-methoxyphenyl)-pyridin-4-ylmethyl]cyclopropane-1-carboxamide
CID 97140868
N-[(4-methylphenyl)-pyridin-4-ylmethyl]azepane-1-carboxamide
CID 121498350
N-[(S)-(4-methoxyphenyl)-phenylmethyl]morpholine-4-carboxamide
CID 94513081
2-(azepan-1-yl)-N-[(R)-(4-methoxyphenyl)-pyridin-4-ylmethyl]acetamide
CID 125161673
N-[(R)-(4-fluorophenyl)-pyridin-4-ylmethyl]-2-oxo-1,8-diazaspiro[4.5]decane-8-carboxamide
CID 126425910
N-[2-[[(S)-(4-methoxyphenyl)-pyridin-4-ylmethyl]carbamoylamino]ethyl]-2-methylpropanamide
CID 126429579
N-[(4-methoxyphenyl)-pyridin-4-ylmethyl]-1H-pyrazole-4-carboxamide
CID 77079339
N-[(4-fluorophenyl)-pyridin-4-ylmethyl]-2-(4-methoxyphenyl)acetamide
CID 110440139
4,4-difluoro-N-[2-(4-methoxyphenyl)-5-methylpyrazol-3-yl]piperidine-1-carboxamide
CID 72921605

Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-N-[(4-methoxyphenyl)-pyridin-4-ylmethyl]piperidine-1-carboxamide?
The IUPAC name of 4,4-difluoro-N-[(4-methoxyphenyl)-pyridin-4-ylmethyl]piperidine-1-carboxamide (CID 121498449) is 4,4-difluoro-N-[(4-methoxyphenyl)-pyridin-4-ylmethyl]piperidine-1-carboxamide.
What is the SMILES notation for 4,4-difluoro-N-[(4-methoxyphenyl)-pyridin-4-ylmethyl]piperidine-1-carboxamide?
The canonical SMILES for 4,4-difluoro-N-[(4-methoxyphenyl)-pyridin-4-ylmethyl]piperidine-1-carboxamide is COc1ccc(C(NC(=O)N2CCC(F)(F)CC2)c2ccncc2)cc1.
What is the InChIKey of 4,4-difluoro-N-[(4-methoxyphenyl)-pyridin-4-ylmethyl]piperidine-1-carboxamide?
The InChIKey is JXLMBAAIZWWSMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2N3O2/c1-26-16-4-2-14(3-5-16)17(15-6-10-22-11-7-15)23-18(25)24-12-8-19(20,21)9-13-24/h2-7,10-11,17H,8-9,12-13H2,1H3,(H,23,25).
What are the key properties of 4,4-difluoro-N-[(4-methoxyphenyl)-pyridin-4-ylmethyl]piperidine-1-carboxamide?
4,4-difluoro-N-[(4-methoxyphenyl)-pyridin-4-ylmethyl]piperidine-1-carboxamide has a molecular weight of 361.39 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-N-[(4-methoxyphenyl)-pyridin-4-ylmethyl]piperidine-1-carboxamide is sourced from PubChem (CID 121498449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).