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

C19H23FN4O2 — CID 174195709

IUPAC4-(3-fluoro-4-pyridinyl)-N-[(3-methoxyphenyl)methyl]-N-methylpiperazine-1-carboxamide
SMILESCOc1cccc(CN(C)C(=O)N2CCN(c3ccncc3F)CC2)c1
InChIInChI=1S/C19H23FN4O2/c1-22(14-15-4-3-5-16(12-15)26-2)19(25)24-10-8-23(9-11-24)18-6-7-21-13-17(18)20/h3-7,12-13H,8-11,14H2,1-2H3
InChIKeyGTXQSFMOHGXZRC-UHFFFAOYSA-N
MW358.42 g/mol
LogP2.60
Rot. Bonds4

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

4-(3-fluoro-4-pyridinyl)-N-[(3-methoxyphenyl)methyl]-N-methylpiperazine-1-carboxamide (PubChem CID 174195709) has the molecular formula C19H23FN4O2 and a molecular weight of 358.42 g/mol. Its IUPAC name is 4-(3-fluoro-4-pyridinyl)-N-[(3-methoxyphenyl)methyl]-N-methylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-(3-fluoro-4-pyridinyl)-N-[(3-methoxyphenyl)methyl]-N-methylpiperazine-1-carboxamide
PubChem CID174195709
Molecular FormulaC19H23FN4O2
Molecular Weight358.42 g/mol
Exact Mass358.18
IUPAC Name4-(3-fluoro-4-pyridinyl)-N-[(3-methoxyphenyl)methyl]-N-methylpiperazine-1-carboxamide
SMILESCOc1cccc(CN(C)C(=O)N2CCN(c3ccncc3F)CC2)c1
InChIInChI=1S/C19H23FN4O2/c1-22(14-15-4-3-5-16(12-15)26-2)19(25)24-10-8-23(9-11-24)18-6-7-21-13-17(18)20/h3-7,12-13H,8-11,14H2,1-2H3
InChIKeyGTXQSFMOHGXZRC-UHFFFAOYSA-N
XLogP2.60
TPSA48.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-fluoro-4-pyridinyl)-N-[(3-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 155749578
N-[(1R)-1-(2-chloro-5-methoxyphenyl)ethyl]-4-(3-fluoro-4-pyridinyl)piperazine-1-carboxamide
CID 155749612
[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl] 2-(3-methoxyphenyl)acetate
CID 9346964
(2R)-4-(3-fluoro-4-pyridinyl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]-2-methylpiperazine-1-carboxamide
CID 155749520
(2S)-4-(3-fluoro-4-pyridinyl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]-2-methylpiperazine-1-carboxamide
CID 166049471
(3R)-4-(3-fluoro-4-pyridinyl)-N-[(3-methoxyphenyl)methyl]-2,3-dimethylpiperazine-1-carboxamide
CID 174195949
[4-(2-fluorophenyl)piperazin-1-yl]-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]methanone;oxalic acid
CID 171151325
1-(3-fluoro-4-pyridinyl)-4-prop-1-en-2-ylpiperazine
CID 155454771
1-[2-[(3-methoxyphenyl)methyl-methylamino]-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 119904141
N-[(3-methoxyphenyl)methyl]-N-methyl-2-[4-(propan-2-ylamino)piperidin-1-yl]acetamide
CID 56569893
N-[(3-methoxyphenyl)methyl]-N-methylcyclopropanecarboxamide
CID 60630648
3-methoxy-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide
CID 22070414

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoro-4-pyridinyl)-N-[(3-methoxyphenyl)methyl]-N-methylpiperazine-1-carboxamide?
The IUPAC name of 4-(3-fluoro-4-pyridinyl)-N-[(3-methoxyphenyl)methyl]-N-methylpiperazine-1-carboxamide (CID 174195709) is 4-(3-fluoro-4-pyridinyl)-N-[(3-methoxyphenyl)methyl]-N-methylpiperazine-1-carboxamide.
What is the SMILES notation for 4-(3-fluoro-4-pyridinyl)-N-[(3-methoxyphenyl)methyl]-N-methylpiperazine-1-carboxamide?
The canonical SMILES for 4-(3-fluoro-4-pyridinyl)-N-[(3-methoxyphenyl)methyl]-N-methylpiperazine-1-carboxamide is COc1cccc(CN(C)C(=O)N2CCN(c3ccncc3F)CC2)c1.
What is the InChIKey of 4-(3-fluoro-4-pyridinyl)-N-[(3-methoxyphenyl)methyl]-N-methylpiperazine-1-carboxamide?
The InChIKey is GTXQSFMOHGXZRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4O2/c1-22(14-15-4-3-5-16(12-15)26-2)19(25)24-10-8-23(9-11-24)18-6-7-21-13-17(18)20/h3-7,12-13H,8-11,14H2,1-2H3.
What are the key properties of 4-(3-fluoro-4-pyridinyl)-N-[(3-methoxyphenyl)methyl]-N-methylpiperazine-1-carboxamide?
4-(3-fluoro-4-pyridinyl)-N-[(3-methoxyphenyl)methyl]-N-methylpiperazine-1-carboxamide has a molecular weight of 358.42 g/mol, XLogP of 2.60, 4 rotatable bonds, 0 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]-N-methylpiperazine-1-carboxamide is sourced from PubChem (CID 174195709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).