1-[2-(4-cyano-2-methoxyphenoxy)acetyl]-N-pyridin-2-ylpiperidine-4-carboxamide

C21H22N4O4 — CID 55808382

IUPAC1-[2-(4-cyano-2-methoxyphenoxy)acetyl]-N-pyridin-2-ylpiperidine-4-carboxamide
SMILESCOc1cc(C#N)ccc1OCC(=O)N1CCC(C(=O)Nc2ccccn2)CC1
InChIInChI=1S/C21H22N4O4/c1-28-18-12-15(13-22)5-6-17(18)29-14-20(26)25-10-7-16(8-11-25)21(27)24-19-4-2-3-9-23-19/h2-6,9,12,16H,7-8,10-11,14H2,1H3,(H,23,24,27)
InChIKeySGLWQWHOSNECBU-UHFFFAOYSA-N
MW394.43 g/mol
LogP2.22
Rot. Bonds6

About 1-[2-(4-cyano-2-methoxyphenoxy)acetyl]-N-pyridin-2-ylpiperidine-4-carboxamide

1-[2-(4-cyano-2-methoxyphenoxy)acetyl]-N-pyridin-2-ylpiperidine-4-carboxamide (PubChem CID 55808382) has the molecular formula C21H22N4O4 and a molecular weight of 394.43 g/mol. Its IUPAC name is 1-[2-(4-cyano-2-methoxyphenoxy)acetyl]-N-pyridin-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-(4-cyano-2-methoxyphenoxy)acetyl]-N-pyridin-2-ylpiperidine-4-carboxamide
PubChem CID55808382
Molecular FormulaC21H22N4O4
Molecular Weight394.43 g/mol
Exact Mass394.16
IUPAC Name1-[2-(4-cyano-2-methoxyphenoxy)acetyl]-N-pyridin-2-ylpiperidine-4-carboxamide
SMILESCOc1cc(C#N)ccc1OCC(=O)N1CCC(C(=O)Nc2ccccn2)CC1
InChIInChI=1S/C21H22N4O4/c1-28-18-12-15(13-22)5-6-17(18)29-14-20(26)25-10-7-16(8-11-25)21(27)24-19-4-2-3-9-23-19/h2-6,9,12,16H,7-8,10-11,14H2,1H3,(H,23,24,27)
InChIKeySGLWQWHOSNECBU-UHFFFAOYSA-N
XLogP2.22
TPSA104.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-(4-acetyl-2-methoxyphenoxy)acetyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 33335967
(3S)-1-[2-(2-fluorophenoxy)acetyl]-N-pyridin-2-ylpyrrolidine-3-carboxamide
CID 92633338
N-(1,3-benzodioxol-5-yl)-1-[4-(4-cyano-2-methoxyphenoxy)butanoyl]piperidine-4-carboxamide
CID 55719954
4-[4-(4-benzoylpiperidin-1-yl)-4-oxobutoxy]-3-methoxybenzonitrile
CID 55713245
N-cyclopropyl-1-[2-(2-methoxyphenoxy)acetyl]piperidine-4-carboxamide
CID 113002547
1-(4-cyclopentyloxy-3-methoxybenzoyl)-N-pyridin-2-ylpiperidine-4-carboxamide
CID 55808317
1-[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]-N-pyridin-2-ylpiperidine-4-carboxamide
CID 55808623
3-methoxy-4-[2-oxo-2-(3-oxopiperazin-1-yl)ethoxy]benzonitrile
CID 51074220
1-[4-(4-cyano-2-methoxyphenoxy)butanoyl]-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 55779180
1-[2-(3-cyanophenoxy)ethyl]-N-pyridin-2-ylpiperidine-4-carboxamide
CID 51124507
4-(2-cyclopropyl-2-oxoethoxy)-3-methoxybenzonitrile
CID 63903452
4-[2-[4-(2-hydroxypropyl)piperazin-1-yl]-2-oxoethoxy]-3-methoxybenzonitrile
CID 56802461

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-cyano-2-methoxyphenoxy)acetyl]-N-pyridin-2-ylpiperidine-4-carboxamide?
The IUPAC name of 1-[2-(4-cyano-2-methoxyphenoxy)acetyl]-N-pyridin-2-ylpiperidine-4-carboxamide (CID 55808382) is 1-[2-(4-cyano-2-methoxyphenoxy)acetyl]-N-pyridin-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[2-(4-cyano-2-methoxyphenoxy)acetyl]-N-pyridin-2-ylpiperidine-4-carboxamide?
The canonical SMILES for 1-[2-(4-cyano-2-methoxyphenoxy)acetyl]-N-pyridin-2-ylpiperidine-4-carboxamide is COc1cc(C#N)ccc1OCC(=O)N1CCC(C(=O)Nc2ccccn2)CC1.
What is the InChIKey of 1-[2-(4-cyano-2-methoxyphenoxy)acetyl]-N-pyridin-2-ylpiperidine-4-carboxamide?
The InChIKey is SGLWQWHOSNECBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O4/c1-28-18-12-15(13-22)5-6-17(18)29-14-20(26)25-10-7-16(8-11-25)21(27)24-19-4-2-3-9-23-19/h2-6,9,12,16H,7-8,10-11,14H2,1H3,(H,23,24,27).
What are the key properties of 1-[2-(4-cyano-2-methoxyphenoxy)acetyl]-N-pyridin-2-ylpiperidine-4-carboxamide?
1-[2-(4-cyano-2-methoxyphenoxy)acetyl]-N-pyridin-2-ylpiperidine-4-carboxamide has a molecular weight of 394.43 g/mol, XLogP of 2.22, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-cyano-2-methoxyphenoxy)acetyl]-N-pyridin-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 55808382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).