4-(4-fluoro-2-methoxyphenyl)-N-(6-methyl-2-pyridinyl)piperazine-1-carboxamide

C18H21FN4O2 — CID 154794874

IUPAC4-(4-fluoro-2-methoxyphenyl)-N-(6-methyl-2-pyridinyl)piperazine-1-carboxamide
SMILESCOc1cc(F)ccc1N1CCN(C(=O)Nc2cccc(C)n2)CC1
InChIInChI=1S/C18H21FN4O2/c1-13-4-3-5-17(20-13)21-18(24)23-10-8-22(9-11-23)15-7-6-14(19)12-16(15)25-2/h3-7,12H,8-11H2,1-2H3,(H,20,21,24)
InChIKeyAZNPJJCVUGCTSU-UHFFFAOYSA-N
MW344.39 g/mol
LogP2.89
Rot. Bonds3

About 4-(4-fluoro-2-methoxyphenyl)-N-(6-methyl-2-pyridinyl)piperazine-1-carboxamide

4-(4-fluoro-2-methoxyphenyl)-N-(6-methyl-2-pyridinyl)piperazine-1-carboxamide (PubChem CID 154794874) has the molecular formula C18H21FN4O2 and a molecular weight of 344.39 g/mol. Its IUPAC name is 4-(4-fluoro-2-methoxyphenyl)-N-(6-methyl-2-pyridinyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(4-fluoro-2-methoxyphenyl)-N-(6-methyl-2-pyridinyl)piperazine-1-carboxamide
PubChem CID154794874
Molecular FormulaC18H21FN4O2
Molecular Weight344.39 g/mol
Exact Mass344.16
IUPAC Name4-(4-fluoro-2-methoxyphenyl)-N-(6-methyl-2-pyridinyl)piperazine-1-carboxamide
SMILESCOc1cc(F)ccc1N1CCN(C(=O)Nc2cccc(C)n2)CC1
InChIInChI=1S/C18H21FN4O2/c1-13-4-3-5-17(20-13)21-18(24)23-10-8-22(9-11-23)15-7-6-14(19)12-16(15)25-2/h3-7,12H,8-11H2,1-2H3,(H,20,21,24)
InChIKeyAZNPJJCVUGCTSU-UHFFFAOYSA-N
XLogP2.89
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,4-Dimethoxyphenyl)-3-(6-methylpyridin-2-yl)urea
CID 769338
N-(2-methoxyphenyl)-6-(piperidin-1-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 942531
1-(2-Methoxyphenyl)-3-(5-methylpyridin-2-yl)urea
CID 808195
N-(4-(4-(2-methoxyphenyl)piperazin-1-yl)butyl)pyridin-2-amine
CID 49865599
N-cyano-N'-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]pyridine-2-carboximidamide
CID 56971026
N-cyano-N'-[3-[4-(2-(111C)methoxyphenyl)piperazin-1-yl]propyl]pyridine-2-carboximidamide
CID 168271101
N-(6-fluoro-2-pyridinyl)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]piperidine-1-carboxamide
CID 168282708
N-(6-bromo-2-pyridinyl)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]piperidine-1-carboxamide
CID 168295143
1-(2-Ethoxyphenyl)-3-pyridin-2-ylurea
CID 6466207
N-(2-methoxyphenyl)-4-pyridin-2-ylpiperazine-1-carboxamide
CID 762653
1-(4-Methoxyphenyl)-3-(6-methyl-2-pyridinyl)urea
CID 790705
N-(2-methoxyphenyl)-N'-pyridin-2-yloxamide
CID 2907831

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluoro-2-methoxyphenyl)-N-(6-methyl-2-pyridinyl)piperazine-1-carboxamide?
The IUPAC name of 4-(4-fluoro-2-methoxyphenyl)-N-(6-methyl-2-pyridinyl)piperazine-1-carboxamide (CID 154794874) is 4-(4-fluoro-2-methoxyphenyl)-N-(6-methyl-2-pyridinyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(4-fluoro-2-methoxyphenyl)-N-(6-methyl-2-pyridinyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(4-fluoro-2-methoxyphenyl)-N-(6-methyl-2-pyridinyl)piperazine-1-carboxamide is COc1cc(F)ccc1N1CCN(C(=O)Nc2cccc(C)n2)CC1.
What is the InChIKey of 4-(4-fluoro-2-methoxyphenyl)-N-(6-methyl-2-pyridinyl)piperazine-1-carboxamide?
The InChIKey is AZNPJJCVUGCTSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4O2/c1-13-4-3-5-17(20-13)21-18(24)23-10-8-22(9-11-23)15-7-6-14(19)12-16(15)25-2/h3-7,12H,8-11H2,1-2H3,(H,20,21,24).
What are the key properties of 4-(4-fluoro-2-methoxyphenyl)-N-(6-methyl-2-pyridinyl)piperazine-1-carboxamide?
4-(4-fluoro-2-methoxyphenyl)-N-(6-methyl-2-pyridinyl)piperazine-1-carboxamide has a molecular weight of 344.39 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluoro-2-methoxyphenyl)-N-(6-methyl-2-pyridinyl)piperazine-1-carboxamide is sourced from PubChem (CID 154794874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).