N-(4-fluoro-2-methoxyphenyl)-4-pyridin-4-ylpiperazine-1-carboxamide

C17H19FN4O2 — CID 86988601

IUPACN-(4-fluoro-2-methoxyphenyl)-4-pyridin-4-ylpiperazine-1-carboxamide
SMILESCOc1cc(F)ccc1NC(=O)N1CCN(c2ccncc2)CC1
InChIInChI=1S/C17H19FN4O2/c1-24-16-12-13(18)2-3-15(16)20-17(23)22-10-8-21(9-11-22)14-4-6-19-7-5-14/h2-7,12H,8-11H2,1H3,(H,20,23)
InChIKeyJLDUCQFGHMMPNM-UHFFFAOYSA-N
MW330.36 g/mol
LogP2.58
Rot. Bonds3

About N-(4-fluoro-2-methoxyphenyl)-4-pyridin-4-ylpiperazine-1-carboxamide

N-(4-fluoro-2-methoxyphenyl)-4-pyridin-4-ylpiperazine-1-carboxamide (PubChem CID 86988601) has the molecular formula C17H19FN4O2 and a molecular weight of 330.36 g/mol. Its IUPAC name is N-(4-fluoro-2-methoxyphenyl)-4-pyridin-4-ylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-(4-fluoro-2-methoxyphenyl)-4-pyridin-4-ylpiperazine-1-carboxamide
PubChem CID86988601
Molecular FormulaC17H19FN4O2
Molecular Weight330.36 g/mol
Exact Mass330.15
IUPAC NameN-(4-fluoro-2-methoxyphenyl)-4-pyridin-4-ylpiperazine-1-carboxamide
SMILESCOc1cc(F)ccc1NC(=O)N1CCN(c2ccncc2)CC1
InChIInChI=1S/C17H19FN4O2/c1-24-16-12-13(18)2-3-15(16)20-17(23)22-10-8-21(9-11-22)14-4-6-19-7-5-14/h2-7,12H,8-11H2,1H3,(H,20,23)
InChIKeyJLDUCQFGHMMPNM-UHFFFAOYSA-N
XLogP2.58
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dimethoxyphenyl)-4-pyridin-4-ylpiperazine-1-carboxamide
CID 86986916
N-(2,4-dimethoxyphenyl)-4-(3-fluorophenyl)piperazine-1-carboxamide
CID 113114029
(5-fluoro-2-methoxyphenyl)-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 38029328
N-(2,5-difluorophenyl)-4-(4-methoxyphenyl)piperazine-1-carboxamide
CID 3258791
N-(2-methylsulfanylphenyl)-4-pyridin-4-ylpiperazine-1-carboxamide
CID 86987118
N-(3-chloro-4-methoxyphenyl)-4-(4-fluorophenyl)piperazine-1-carboxamide
CID 108989593
N-(2-methoxyphenyl)-1-pyridin-4-ylpiperidine-4-carboxamide
CID 46384770
N-[2-(cyclopropylmethoxy)-4-fluorophenyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 75512190
4-(3,4-dichlorophenyl)-N-(2-methoxyphenyl)piperazine-1-carboxamide
CID 3686318
N-(5-acetamido-2-methylphenyl)-4-pyridin-4-ylpiperazine-1-carboxamide
CID 86994575
2-[1-[(4-fluoro-2-methoxyphenyl)carbamoyl]azetidin-3-yl]acetic acid
CID 64617654
4-(4-tert-butylphenyl)-N-(2,4-difluorophenyl)piperazine-1-carboxamide
CID 113112680

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-2-methoxyphenyl)-4-pyridin-4-ylpiperazine-1-carboxamide?
The IUPAC name of N-(4-fluoro-2-methoxyphenyl)-4-pyridin-4-ylpiperazine-1-carboxamide (CID 86988601) is N-(4-fluoro-2-methoxyphenyl)-4-pyridin-4-ylpiperazine-1-carboxamide.
What is the SMILES notation for N-(4-fluoro-2-methoxyphenyl)-4-pyridin-4-ylpiperazine-1-carboxamide?
The canonical SMILES for N-(4-fluoro-2-methoxyphenyl)-4-pyridin-4-ylpiperazine-1-carboxamide is COc1cc(F)ccc1NC(=O)N1CCN(c2ccncc2)CC1.
What is the InChIKey of N-(4-fluoro-2-methoxyphenyl)-4-pyridin-4-ylpiperazine-1-carboxamide?
The InChIKey is JLDUCQFGHMMPNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4O2/c1-24-16-12-13(18)2-3-15(16)20-17(23)22-10-8-21(9-11-22)14-4-6-19-7-5-14/h2-7,12H,8-11H2,1H3,(H,20,23).
What are the key properties of N-(4-fluoro-2-methoxyphenyl)-4-pyridin-4-ylpiperazine-1-carboxamide?
N-(4-fluoro-2-methoxyphenyl)-4-pyridin-4-ylpiperazine-1-carboxamide has a molecular weight of 330.36 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-2-methoxyphenyl)-4-pyridin-4-ylpiperazine-1-carboxamide is sourced from PubChem (CID 86988601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).