1-methyl-N-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]-4-oxocinnoline-3-carboxamide

C21H29N5O2 — CID 127307639

IUPAC1-methyl-N-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]-4-oxocinnoline-3-carboxamide
SMILESCN1CCC(N2CCC(NC(=O)c3nn(C)c4ccccc4c3=O)CC2)CC1
InChIInChI=1S/C21H29N5O2/c1-24-11-9-16(10-12-24)26-13-7-15(8-14-26)22-21(28)19-20(27)17-5-3-4-6-18(17)25(2)23-19/h3-6,15-16H,7-14H2,1-2H3,(H,22,28)
InChIKeyGRFLQWJNHRUAOC-UHFFFAOYSA-N
MW383.50 g/mol
LogP1.22
Rot. Bonds3

About 1-methyl-N-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]-4-oxocinnoline-3-carboxamide

1-methyl-N-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]-4-oxocinnoline-3-carboxamide (PubChem CID 127307639) has the molecular formula C21H29N5O2 and a molecular weight of 383.50 g/mol. Its IUPAC name is 1-methyl-N-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]-4-oxocinnoline-3-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]-4-oxocinnoline-3-carboxamide
PubChem CID127307639
Molecular FormulaC21H29N5O2
Molecular Weight383.50 g/mol
Exact Mass383.23
IUPAC Name1-methyl-N-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]-4-oxocinnoline-3-carboxamide
SMILESCN1CCC(N2CCC(NC(=O)c3nn(C)c4ccccc4c3=O)CC2)CC1
InChIInChI=1S/C21H29N5O2/c1-24-11-9-16(10-12-24)26-13-7-15(8-14-26)22-21(28)19-20(27)17-5-3-4-6-18(17)25(2)23-19/h3-6,15-16H,7-14H2,1-2H3,(H,22,28)
InChIKeyGRFLQWJNHRUAOC-UHFFFAOYSA-N
XLogP1.22
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.50
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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1-ethyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4-oxocinnoline-3-carboxamide
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CID 67274324
N-(2-hydroxycyclohexyl)-1-methylindazole-3-carboxamide
CID 103120150
N-(4-hydroxycyclohexyl)-3-methyl-4-oxophthalazine-1-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]-4-oxocinnoline-3-carboxamide?
The IUPAC name of 1-methyl-N-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]-4-oxocinnoline-3-carboxamide (CID 127307639) is 1-methyl-N-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]-4-oxocinnoline-3-carboxamide.
What is the SMILES notation for 1-methyl-N-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]-4-oxocinnoline-3-carboxamide?
The canonical SMILES for 1-methyl-N-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]-4-oxocinnoline-3-carboxamide is CN1CCC(N2CCC(NC(=O)c3nn(C)c4ccccc4c3=O)CC2)CC1.
What is the InChIKey of 1-methyl-N-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]-4-oxocinnoline-3-carboxamide?
The InChIKey is GRFLQWJNHRUAOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O2/c1-24-11-9-16(10-12-24)26-13-7-15(8-14-26)22-21(28)19-20(27)17-5-3-4-6-18(17)25(2)23-19/h3-6,15-16H,7-14H2,1-2H3,(H,22,28).
What are the key properties of 1-methyl-N-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]-4-oxocinnoline-3-carboxamide?
1-methyl-N-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]-4-oxocinnoline-3-carboxamide has a molecular weight of 383.50 g/mol, XLogP of 1.22, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]-4-oxocinnoline-3-carboxamide is sourced from PubChem (CID 127307639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).