N-[5-fluoro-2-[(4-methoxyphenyl)carbamoyl]phenyl]-1-pyridin-4-ylpiperidine-4-carboxamide;hydrochloride

C25H26ClFN4O3 — CID 18174513

IUPACN-[5-fluoro-2-[(4-methoxyphenyl)carbamoyl]phenyl]-1-pyridin-4-ylpiperidine-4-carboxamide;hydrochloride
SMILESCOc1ccc(NC(=O)c2ccc(F)cc2NC(=O)C2CCN(c3ccncc3)CC2)cc1.Cl
InChIInChI=1S/C25H25FN4O3.ClH/c1-33-21-5-3-19(4-6-21)28-25(32)22-7-2-18(26)16-23(22)29-24(31)17-10-14-30(15-11-17)20-8-12-27-13-9-20;/h2-9,12-13,16-17H,10-11,14-15H2,1H3,(H,28,32)(H,29,31);1H
InChIKeyDJZRRLUCGHYIKQ-UHFFFAOYSA-N
MW484.96 g/mol
LogP4.76
Rot. Bonds6

About N-[5-fluoro-2-[(4-methoxyphenyl)carbamoyl]phenyl]-1-pyridin-4-ylpiperidine-4-carboxamide;hydrochloride

N-[5-fluoro-2-[(4-methoxyphenyl)carbamoyl]phenyl]-1-pyridin-4-ylpiperidine-4-carboxamide;hydrochloride (PubChem CID 18174513) has the molecular formula C25H26ClFN4O3 and a molecular weight of 484.96 g/mol. Its IUPAC name is N-[5-fluoro-2-[(4-methoxyphenyl)carbamoyl]phenyl]-1-pyridin-4-ylpiperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[5-fluoro-2-[(4-methoxyphenyl)carbamoyl]phenyl]-1-pyridin-4-ylpiperidine-4-carboxamide;hydrochloride
PubChem CID18174513
Molecular FormulaC25H26ClFN4O3
Molecular Weight484.96 g/mol
Exact Mass484.17
IUPAC NameN-[5-fluoro-2-[(4-methoxyphenyl)carbamoyl]phenyl]-1-pyridin-4-ylpiperidine-4-carboxamide;hydrochloride
SMILESCOc1ccc(NC(=O)c2ccc(F)cc2NC(=O)C2CCN(c3ccncc3)CC2)cc1.Cl
InChIInChI=1S/C25H25FN4O3.ClH/c1-33-21-5-3-19(4-6-21)28-25(32)22-7-2-18(26)16-23(22)29-24(31)17-10-14-30(15-11-17)20-8-12-27-13-9-20;/h2-9,12-13,16-17H,10-11,14-15H2,1H3,(H,28,32)(H,29,31);1H
InChIKeyDJZRRLUCGHYIKQ-UHFFFAOYSA-N
XLogP4.76
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.96
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-chlorophenyl)-N-[2-[(4-methoxyphenyl)carbamoyl]phenyl]piperidine-4-carboxamide
CID 17153136
N-(2-methoxyphenyl)-1-pyridin-4-ylpiperidine-4-carboxamide
CID 46384770
N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorophenyl]-1-pyridin-4-ylpiperidine-4-carboxamide
CID 20597993
methyl 4-[(5-chloro-2-pyridinyl)carbamoyl]-3-[(1-pyridin-4-ylpiperidine-4-carbonyl)amino]benzoate
CID 20597988
1-[6-(4-fluorophenyl)pyrimidin-4-yl]-N-(4-methoxyphenyl)piperidine-4-carboxamide
CID 53061970
N-(4-methoxyphenyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 3223122
1-(3-chlorophenyl)-N-(4-methoxyphenyl)piperidine-4-carboxamide
CID 17152909
N-(2,5-difluorophenyl)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-4-carboxamide
CID 22519639
4-amino-2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(4-methoxyphenyl)pyrimidine-5-carboxamide
CID 53144015
1-(2-chlorobenzoyl)-N-[2-[(4-methoxyphenyl)carbamoyl]phenyl]piperidine-4-carboxamide
CID 17223510
N-(4-fluoro-2-methoxyphenyl)-4-pyridin-4-ylpiperazine-1-carboxamide
CID 86988601
1-(4-fluorophenyl)sulfonyl-N-(4-methoxyphenyl)piperidine-4-carboxamide
CID 1327450

Frequently Asked Questions

What is the IUPAC name of N-[5-fluoro-2-[(4-methoxyphenyl)carbamoyl]phenyl]-1-pyridin-4-ylpiperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-[5-fluoro-2-[(4-methoxyphenyl)carbamoyl]phenyl]-1-pyridin-4-ylpiperidine-4-carboxamide;hydrochloride (CID 18174513) is N-[5-fluoro-2-[(4-methoxyphenyl)carbamoyl]phenyl]-1-pyridin-4-ylpiperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[5-fluoro-2-[(4-methoxyphenyl)carbamoyl]phenyl]-1-pyridin-4-ylpiperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-[5-fluoro-2-[(4-methoxyphenyl)carbamoyl]phenyl]-1-pyridin-4-ylpiperidine-4-carboxamide;hydrochloride is COc1ccc(NC(=O)c2ccc(F)cc2NC(=O)C2CCN(c3ccncc3)CC2)cc1.Cl.
What is the InChIKey of N-[5-fluoro-2-[(4-methoxyphenyl)carbamoyl]phenyl]-1-pyridin-4-ylpiperidine-4-carboxamide;hydrochloride?
The InChIKey is DJZRRLUCGHYIKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN4O3.ClH/c1-33-21-5-3-19(4-6-21)28-25(32)22-7-2-18(26)16-23(22)29-24(31)17-10-14-30(15-11-17)20-8-12-27-13-9-20;/h2-9,12-13,16-17H,10-11,14-15H2,1H3,(H,28,32)(H,29,31);1H.
What are the key properties of N-[5-fluoro-2-[(4-methoxyphenyl)carbamoyl]phenyl]-1-pyridin-4-ylpiperidine-4-carboxamide;hydrochloride?
N-[5-fluoro-2-[(4-methoxyphenyl)carbamoyl]phenyl]-1-pyridin-4-ylpiperidine-4-carboxamide;hydrochloride has a molecular weight of 484.96 g/mol, XLogP of 4.76, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-fluoro-2-[(4-methoxyphenyl)carbamoyl]phenyl]-1-pyridin-4-ylpiperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 18174513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).