3-[4-[(3-methoxyphenyl)methyl]piperidine-1-carbonyl]pyrazine-2-carboxamide

C19H22N4O3 — CID 136530088

IUPAC3-[4-[(3-methoxyphenyl)methyl]piperidine-1-carbonyl]pyrazine-2-carboxamide
SMILESCOc1cccc(CC2CCN(C(=O)c3nccnc3C(N)=O)CC2)c1
InChIInChI=1S/C19H22N4O3/c1-26-15-4-2-3-14(12-15)11-13-5-9-23(10-6-13)19(25)17-16(18(20)24)21-7-8-22-17/h2-4,7-8,12-13H,5-6,9-11H2,1H3,(H2,20,24)
InChIKeyVLFBBIADHKOSNI-UHFFFAOYSA-N
MW354.41 g/mol
LogP1.68
Rot. Bonds5

About 3-[4-[(3-methoxyphenyl)methyl]piperidine-1-carbonyl]pyrazine-2-carboxamide

3-[4-[(3-methoxyphenyl)methyl]piperidine-1-carbonyl]pyrazine-2-carboxamide (PubChem CID 136530088) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is 3-[4-[(3-methoxyphenyl)methyl]piperidine-1-carbonyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-[4-[(3-methoxyphenyl)methyl]piperidine-1-carbonyl]pyrazine-2-carboxamide
PubChem CID136530088
Molecular FormulaC19H22N4O3
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC Name3-[4-[(3-methoxyphenyl)methyl]piperidine-1-carbonyl]pyrazine-2-carboxamide
SMILESCOc1cccc(CC2CCN(C(=O)c3nccnc3C(N)=O)CC2)c1
InChIInChI=1S/C19H22N4O3/c1-26-15-4-2-3-14(12-15)11-13-5-9-23(10-6-13)19(25)17-16(18(20)24)21-7-8-22-17/h2-4,7-8,12-13H,5-6,9-11H2,1H3,(H2,20,24)
InChIKeyVLFBBIADHKOSNI-UHFFFAOYSA-N
XLogP1.68
TPSA98.41 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-benzylpiperidin-1-yl)-2-(3-methoxyphenyl)ethanone
CID 127120206
5-chloro-6-[4-[(3-methoxyphenyl)methyl]piperidin-1-yl]pyridine-3-carboxamide
CID 133464880
N-[3-(4-benzylpiperidine-1-carbonyl)pyrazin-2-yl]-4-methoxybenzamide
CID 53166526
[5-chloro-6-[4-[(3-methoxyphenyl)methyl]piperidin-1-yl]-3-pyridinyl]-morpholin-4-ylmethanone
CID 133464886
cis-(1R,2S)-2-[4-[(3-methoxyphenyl)methyl]piperidine-1-carbonyl]-N,N-dimethylcyclopropane-1-carboxamide
CID 126808966
2-[4-[(3-methoxyphenyl)methyl]piperidin-1-yl]-5-nitropyridine-3-carboxamide
CID 133464882
(3-methoxy-4-methylphenyl)-[4-(pyridin-3-ylmethyl)piperidin-1-yl]methanone
CID 136519929
(4-benzylpiperidin-1-yl)-(2-bromo-5-methoxyphenyl)methanone
CID 27553728
1-(4-benzylpiperidin-1-yl)-2-(3-methoxyphenoxy)propan-1-one
CID 43905657
6-[4-[(3-methoxyphenyl)methyl]piperidine-1-carbonyl]-4H-1,4-benzoxazin-3-one
CID 138688442
2-[4-[(3-methoxyphenyl)methyl]piperidin-1-yl]-5-methyl-1,3,4-thiadiazole
CID 133464861
N-[4-(4-benzylpiperidine-1-carbonyl)phenyl]-3-methoxybenzenesulfonamide
CID 984649

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(3-methoxyphenyl)methyl]piperidine-1-carbonyl]pyrazine-2-carboxamide?
The IUPAC name of 3-[4-[(3-methoxyphenyl)methyl]piperidine-1-carbonyl]pyrazine-2-carboxamide (CID 136530088) is 3-[4-[(3-methoxyphenyl)methyl]piperidine-1-carbonyl]pyrazine-2-carboxamide.
What is the SMILES notation for 3-[4-[(3-methoxyphenyl)methyl]piperidine-1-carbonyl]pyrazine-2-carboxamide?
The canonical SMILES for 3-[4-[(3-methoxyphenyl)methyl]piperidine-1-carbonyl]pyrazine-2-carboxamide is COc1cccc(CC2CCN(C(=O)c3nccnc3C(N)=O)CC2)c1.
What is the InChIKey of 3-[4-[(3-methoxyphenyl)methyl]piperidine-1-carbonyl]pyrazine-2-carboxamide?
The InChIKey is VLFBBIADHKOSNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3/c1-26-15-4-2-3-14(12-15)11-13-5-9-23(10-6-13)19(25)17-16(18(20)24)21-7-8-22-17/h2-4,7-8,12-13H,5-6,9-11H2,1H3,(H2,20,24).
What are the key properties of 3-[4-[(3-methoxyphenyl)methyl]piperidine-1-carbonyl]pyrazine-2-carboxamide?
3-[4-[(3-methoxyphenyl)methyl]piperidine-1-carbonyl]pyrazine-2-carboxamide has a molecular weight of 354.41 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(3-methoxyphenyl)methyl]piperidine-1-carbonyl]pyrazine-2-carboxamide is sourced from PubChem (CID 136530088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).