4-(3-fluoro-4-pyridinyl)-N-[(3-methoxyphenyl)methyl]piperazine-1-carboxamide

C18H21FN4O2 — CID 155749578

IUPAC4-(3-fluoro-4-pyridinyl)-N-[(3-methoxyphenyl)methyl]piperazine-1-carboxamide
SMILESCOc1cccc(CNC(=O)N2CCN(c3ccncc3F)CC2)c1
InChIInChI=1S/C18H21FN4O2/c1-25-15-4-2-3-14(11-15)12-21-18(24)23-9-7-22(8-10-23)17-5-6-20-13-16(17)19/h2-6,11,13H,7-10,12H2,1H3,(H,21,24)
InChIKeyFNJIEBRTIKBTHD-UHFFFAOYSA-N
MW344.39 g/mol
LogP2.26
Rot. Bonds4

About 4-(3-fluoro-4-pyridinyl)-N-[(3-methoxyphenyl)methyl]piperazine-1-carboxamide

4-(3-fluoro-4-pyridinyl)-N-[(3-methoxyphenyl)methyl]piperazine-1-carboxamide (PubChem CID 155749578) has the molecular formula C18H21FN4O2 and a molecular weight of 344.39 g/mol. Its IUPAC name is 4-(3-fluoro-4-pyridinyl)-N-[(3-methoxyphenyl)methyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(3-fluoro-4-pyridinyl)-N-[(3-methoxyphenyl)methyl]piperazine-1-carboxamide
PubChem CID155749578
Molecular FormulaC18H21FN4O2
Molecular Weight344.39 g/mol
Exact Mass344.16
IUPAC Name4-(3-fluoro-4-pyridinyl)-N-[(3-methoxyphenyl)methyl]piperazine-1-carboxamide
SMILESCOc1cccc(CNC(=O)N2CCN(c3ccncc3F)CC2)c1
InChIInChI=1S/C18H21FN4O2/c1-25-15-4-2-3-14(11-15)12-21-18(24)23-9-7-22(8-10-23)17-5-6-20-13-16(17)19/h2-6,11,13H,7-10,12H2,1H3,(H,21,24)
InChIKeyFNJIEBRTIKBTHD-UHFFFAOYSA-N
XLogP2.26
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-fluoro-4-pyridinyl)-N-[(3-methoxyphenyl)methyl]-N-methylpiperazine-1-carboxamide
CID 174195709
(3R)-4-(3-fluoro-4-pyridinyl)-N-[(3-methoxyphenyl)methyl]-2,3-dimethylpiperazine-1-carboxamide
CID 174195949
4-(2,4-dimethoxyphenyl)-N-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 113108600
4-(3-fluoro-4-pyridinyl)-N-[(2-methyl-1-benzofuran-4-yl)methyl]piperazine-1-carboxamide
CID 174195240
4-benzyl-N-[(3-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 27517759
4-(3-fluoro-4-pyridinyl)-N-[(2-methyl-1,3-benzoxazol-4-yl)methyl]piperazine-1-carboxamide
CID 174195286
N-[(1R)-1-(2-chloro-5-methoxyphenyl)ethyl]-4-(3-fluoro-4-pyridinyl)piperazine-1-carboxamide
CID 155749612
4-(4-acetyl-2-fluorophenyl)-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]piperazine-1-carboxamide
CID 55795804
4-(2-fluorophenyl)-N-[(3-fluorophenyl)methyl]piperazine-1-carboxamide
CID 108898587
N-[(3-methylphenyl)methyl]-4-(3-methyl-4-pyridinyl)-1,4-diazepane-1-carboxamide
CID 119063057
N-[(3,4-dimethoxyphenyl)methyl]-4-(3-methoxyphenyl)piperazine-1-carboxamide
CID 38210733
N-[(3-bromophenyl)methyl]-4-(2-fluorophenyl)piperazine-1-carboxamide
CID 108898979

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoro-4-pyridinyl)-N-[(3-methoxyphenyl)methyl]piperazine-1-carboxamide?
The IUPAC name of 4-(3-fluoro-4-pyridinyl)-N-[(3-methoxyphenyl)methyl]piperazine-1-carboxamide (CID 155749578) is 4-(3-fluoro-4-pyridinyl)-N-[(3-methoxyphenyl)methyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(3-fluoro-4-pyridinyl)-N-[(3-methoxyphenyl)methyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(3-fluoro-4-pyridinyl)-N-[(3-methoxyphenyl)methyl]piperazine-1-carboxamide is COc1cccc(CNC(=O)N2CCN(c3ccncc3F)CC2)c1.
What is the InChIKey of 4-(3-fluoro-4-pyridinyl)-N-[(3-methoxyphenyl)methyl]piperazine-1-carboxamide?
The InChIKey is FNJIEBRTIKBTHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4O2/c1-25-15-4-2-3-14(11-15)12-21-18(24)23-9-7-22(8-10-23)17-5-6-20-13-16(17)19/h2-6,11,13H,7-10,12H2,1H3,(H,21,24).
What are the key properties of 4-(3-fluoro-4-pyridinyl)-N-[(3-methoxyphenyl)methyl]piperazine-1-carboxamide?
4-(3-fluoro-4-pyridinyl)-N-[(3-methoxyphenyl)methyl]piperazine-1-carboxamide has a molecular weight of 344.39 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoro-4-pyridinyl)-N-[(3-methoxyphenyl)methyl]piperazine-1-carboxamide is sourced from PubChem (CID 155749578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).