6-[(3S)-3-(3-fluoro-4-methoxybenzoyl)piperidin-1-yl]pyrazine-2-carboxamide

C18H19FN4O3 — CID 95550702

IUPAC6-[(3S)-3-(3-fluoro-4-methoxybenzoyl)piperidin-1-yl]pyrazine-2-carboxamide
SMILESCOc1ccc(C(=O)[C@H]2CCCN(c3cncc(C(N)=O)n3)C2)cc1F
InChIInChI=1S/C18H19FN4O3/c1-26-15-5-4-11(7-13(15)19)17(24)12-3-2-6-23(10-12)16-9-21-8-14(22-16)18(20)25/h4-5,7-9,12H,2-3,6,10H2,1H3,(H2,20,25)/t12-/m0/s1
InChIKeyOMSDXELRJNIFTQ-LBPRGKRZSA-N
MW358.37 g/mol
LogP1.82
Rot. Bonds5

About 6-[(3S)-3-(3-fluoro-4-methoxybenzoyl)piperidin-1-yl]pyrazine-2-carboxamide

6-[(3S)-3-(3-fluoro-4-methoxybenzoyl)piperidin-1-yl]pyrazine-2-carboxamide (PubChem CID 95550702) has the molecular formula C18H19FN4O3 and a molecular weight of 358.37 g/mol. Its IUPAC name is 6-[(3S)-3-(3-fluoro-4-methoxybenzoyl)piperidin-1-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-[(3S)-3-(3-fluoro-4-methoxybenzoyl)piperidin-1-yl]pyrazine-2-carboxamide
PubChem CID95550702
Molecular FormulaC18H19FN4O3
Molecular Weight358.37 g/mol
Exact Mass358.14
IUPAC Name6-[(3S)-3-(3-fluoro-4-methoxybenzoyl)piperidin-1-yl]pyrazine-2-carboxamide
SMILESCOc1ccc(C(=O)[C@H]2CCCN(c3cncc(C(N)=O)n3)C2)cc1F
InChIInChI=1S/C18H19FN4O3/c1-26-15-5-4-11(7-13(15)19)17(24)12-3-2-6-23(10-12)16-9-21-8-14(22-16)18(20)25/h4-5,7-9,12H,2-3,6,10H2,1H3,(H2,20,25)/t12-/m0/s1
InChIKeyOMSDXELRJNIFTQ-LBPRGKRZSA-N
XLogP1.82
TPSA98.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.37
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-[(3R)-3-(naphthalene-2-carbonyl)piperidin-1-yl]pyrazine-2-carboxamide
CID 95524992
6-[(3R)-3-(1,3-benzodioxole-5-carbonyl)piperidin-1-yl]pyrazine-2-carboxamide
CID 95559675
(3,4-dimethoxyphenyl)-[1-(3-fluoro-4-methoxybenzoyl)piperidin-3-yl]methanone
CID 45188321
(3,4-dimethoxyphenyl)-[(3S)-1-quinoxalin-2-ylpiperidin-3-yl]methanone
CID 95556864
2-[(3S)-3-(3,4-dimethoxybenzoyl)piperidin-1-yl]-1,3-thiazole-4-carboxamide
CID 95551992
(3,4-dimethoxyphenyl)-[1-(5-ethyl-2-methylpyrimidin-4-yl)piperidin-3-yl]methanone
CID 56861214
(3-fluoro-4-methoxyphenyl)-[(3R)-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-3-yl]methanone
CID 42189380
[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-3-yl]-(3-fluoro-4-methoxyphenyl)methanone
CID 45169937
1-[3-(3-fluoro-4-methoxybenzoyl)piperidin-1-yl]-2-pyrrolidin-1-ylethanone
CID 56898677
[(3R)-1-(5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carbonyl)piperidin-3-yl]-(3-fluoro-4-methoxyphenyl)methanone
CID 42095005
(3,4-dimethoxyphenyl)-[(3R)-1-(5-propylpyrimidin-4-yl)piperidin-3-yl]methanone
CID 95502493
1-(3-fluoro-4-methoxybenzoyl)-N'-hydroxypiperidine-3-carboximidamide
CID 77042001

Frequently Asked Questions

What is the IUPAC name of 6-[(3S)-3-(3-fluoro-4-methoxybenzoyl)piperidin-1-yl]pyrazine-2-carboxamide?
The IUPAC name of 6-[(3S)-3-(3-fluoro-4-methoxybenzoyl)piperidin-1-yl]pyrazine-2-carboxamide (CID 95550702) is 6-[(3S)-3-(3-fluoro-4-methoxybenzoyl)piperidin-1-yl]pyrazine-2-carboxamide.
What is the SMILES notation for 6-[(3S)-3-(3-fluoro-4-methoxybenzoyl)piperidin-1-yl]pyrazine-2-carboxamide?
The canonical SMILES for 6-[(3S)-3-(3-fluoro-4-methoxybenzoyl)piperidin-1-yl]pyrazine-2-carboxamide is COc1ccc(C(=O)[C@H]2CCCN(c3cncc(C(N)=O)n3)C2)cc1F.
What is the InChIKey of 6-[(3S)-3-(3-fluoro-4-methoxybenzoyl)piperidin-1-yl]pyrazine-2-carboxamide?
The InChIKey is OMSDXELRJNIFTQ-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H19FN4O3/c1-26-15-5-4-11(7-13(15)19)17(24)12-3-2-6-23(10-12)16-9-21-8-14(22-16)18(20)25/h4-5,7-9,12H,2-3,6,10H2,1H3,(H2,20,25)/t12-/m0/s1.
What are the key properties of 6-[(3S)-3-(3-fluoro-4-methoxybenzoyl)piperidin-1-yl]pyrazine-2-carboxamide?
6-[(3S)-3-(3-fluoro-4-methoxybenzoyl)piperidin-1-yl]pyrazine-2-carboxamide has a molecular weight of 358.37 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3S)-3-(3-fluoro-4-methoxybenzoyl)piperidin-1-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 95550702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).