4-fluoro-3-methoxy-N-[[1-(pyrazine-2-carbonyl)piperidin-3-yl]methyl]benzamide

C19H21FN4O3 — CID 131912931

IUPAC4-fluoro-3-methoxy-N-[[1-(pyrazine-2-carbonyl)piperidin-3-yl]methyl]benzamide
SMILESCOc1cc(C(=O)NCC2CCCN(C(=O)c3cnccn3)C2)ccc1F
InChIInChI=1S/C19H21FN4O3/c1-27-17-9-14(4-5-15(17)20)18(25)23-10-13-3-2-8-24(12-13)19(26)16-11-21-6-7-22-16/h4-7,9,11,13H,2-3,8,10,12H2,1H3,(H,23,25)
InChIKeySNHLGWQWTCDESQ-UHFFFAOYSA-N
MW372.40 g/mol
LogP1.91
Rot. Bonds5

About 4-fluoro-3-methoxy-N-[[1-(pyrazine-2-carbonyl)piperidin-3-yl]methyl]benzamide

4-fluoro-3-methoxy-N-[[1-(pyrazine-2-carbonyl)piperidin-3-yl]methyl]benzamide (PubChem CID 131912931) has the molecular formula C19H21FN4O3 and a molecular weight of 372.40 g/mol. Its IUPAC name is 4-fluoro-3-methoxy-N-[[1-(pyrazine-2-carbonyl)piperidin-3-yl]methyl]benzamide.

Molecular Properties

Compound Name4-fluoro-3-methoxy-N-[[1-(pyrazine-2-carbonyl)piperidin-3-yl]methyl]benzamide
PubChem CID131912931
Molecular FormulaC19H21FN4O3
Molecular Weight372.40 g/mol
Exact Mass372.16
IUPAC Name4-fluoro-3-methoxy-N-[[1-(pyrazine-2-carbonyl)piperidin-3-yl]methyl]benzamide
SMILESCOc1cc(C(=O)NCC2CCCN(C(=O)c3cnccn3)C2)ccc1F
InChIInChI=1S/C19H21FN4O3/c1-27-17-9-14(4-5-15(17)20)18(25)23-10-13-3-2-8-24(12-13)19(26)16-11-21-6-7-22-16/h4-7,9,11,13H,2-3,8,10,12H2,1H3,(H,23,25)
InChIKeySNHLGWQWTCDESQ-UHFFFAOYSA-N
XLogP1.91
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.40
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-(3,4-dimethoxybenzoyl)piperidin-3-yl]methyl]-4-fluorobenzamide
CID 24790363
tert-butyl N-[[(3S)-1-(pyrazine-2-carbonyl)piperidin-3-yl]methyl]carbamate
CID 94824268
(3-ethylpiperidin-1-yl)-pyrazin-2-ylmethanone
CID 86981201
[(3R)-3-[2-(3,4-difluorophenyl)ethyl]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 42298601
methyl 4-[(3R)-3-[[(4-fluorobenzoyl)amino]methyl]piperidine-1-carbonyl]benzoate
CID 42157752
methyl 4-[3-[[(4-fluorobenzoyl)amino]methyl]piperidine-1-carbonyl]benzoate
CID 24817518
N-[(4-aminocyclohexyl)methyl]-4-fluoro-3-methoxybenzamide
CID 106124416
N-[(3-methoxyphenyl)methyl]-3-[(3S)-1-(pyrazine-2-carbonyl)piperidin-3-yl]propanamide
CID 97282425
3,5-dimethoxy-N-[[(3R)-1-(1,3-thiazole-4-carbonyl)piperidin-3-yl]methyl]benzamide
CID 42216109
[(3R)-3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 26318399
[(3S)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 95532367
N-[[(3R)-1-ethylpiperidin-3-yl]methyl]-3,4-dimethoxybenzamide
CID 95214625

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-methoxy-N-[[1-(pyrazine-2-carbonyl)piperidin-3-yl]methyl]benzamide?
The IUPAC name of 4-fluoro-3-methoxy-N-[[1-(pyrazine-2-carbonyl)piperidin-3-yl]methyl]benzamide (CID 131912931) is 4-fluoro-3-methoxy-N-[[1-(pyrazine-2-carbonyl)piperidin-3-yl]methyl]benzamide.
What is the SMILES notation for 4-fluoro-3-methoxy-N-[[1-(pyrazine-2-carbonyl)piperidin-3-yl]methyl]benzamide?
The canonical SMILES for 4-fluoro-3-methoxy-N-[[1-(pyrazine-2-carbonyl)piperidin-3-yl]methyl]benzamide is COc1cc(C(=O)NCC2CCCN(C(=O)c3cnccn3)C2)ccc1F.
What is the InChIKey of 4-fluoro-3-methoxy-N-[[1-(pyrazine-2-carbonyl)piperidin-3-yl]methyl]benzamide?
The InChIKey is SNHLGWQWTCDESQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4O3/c1-27-17-9-14(4-5-15(17)20)18(25)23-10-13-3-2-8-24(12-13)19(26)16-11-21-6-7-22-16/h4-7,9,11,13H,2-3,8,10,12H2,1H3,(H,23,25).
What are the key properties of 4-fluoro-3-methoxy-N-[[1-(pyrazine-2-carbonyl)piperidin-3-yl]methyl]benzamide?
4-fluoro-3-methoxy-N-[[1-(pyrazine-2-carbonyl)piperidin-3-yl]methyl]benzamide has a molecular weight of 372.40 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-methoxy-N-[[1-(pyrazine-2-carbonyl)piperidin-3-yl]methyl]benzamide is sourced from PubChem (CID 131912931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).