2-oxo-N-[(4-piperidin-1-yloxan-4-yl)methyl]-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide

C21H31N3O3 — CID 136524943

IUPAC2-oxo-N-[(4-piperidin-1-yloxan-4-yl)methyl]-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
SMILESO=C(NCC1(N2CCCCC2)CCOCC1)c1cc2c([nH]c1=O)CCCC2
InChIInChI=1S/C21H31N3O3/c25-19(17-14-16-6-2-3-7-18(16)23-20(17)26)22-15-21(8-12-27-13-9-21)24-10-4-1-5-11-24/h14H,1-13,15H2,(H,22,25)(H,23,26)
InChIKeyJYGNJKXTPKFRQV-UHFFFAOYSA-N
MW373.50 g/mol
LogP2.02
Rot. Bonds4

About 2-oxo-N-[(4-piperidin-1-yloxan-4-yl)methyl]-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide

2-oxo-N-[(4-piperidin-1-yloxan-4-yl)methyl]-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (PubChem CID 136524943) has the molecular formula C21H31N3O3 and a molecular weight of 373.50 g/mol. Its IUPAC name is 2-oxo-N-[(4-piperidin-1-yloxan-4-yl)methyl]-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.

Molecular Properties

Compound Name2-oxo-N-[(4-piperidin-1-yloxan-4-yl)methyl]-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
PubChem CID136524943
Molecular FormulaC21H31N3O3
Molecular Weight373.50 g/mol
Exact Mass373.24
IUPAC Name2-oxo-N-[(4-piperidin-1-yloxan-4-yl)methyl]-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
SMILESO=C(NCC1(N2CCCCC2)CCOCC1)c1cc2c([nH]c1=O)CCCC2
InChIInChI=1S/C21H31N3O3/c25-19(17-14-16-6-2-3-7-18(16)23-20(17)26)22-15-21(8-12-27-13-9-21)24-10-4-1-5-11-24/h14H,1-13,15H2,(H,22,25)(H,23,26)
InChIKeyJYGNJKXTPKFRQV-UHFFFAOYSA-N
XLogP2.02
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-oxo-N-[(4-piperidin-1-yloxan-4-yl)methyl]-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide with MolForge

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Related Compounds

N-[2-(cycloheptylamino)ethyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 119621149
1-amino-N-[(4-piperidin-1-yloxan-4-yl)methyl]cyclopropane-1-carboxamide;dihydrochloride
CID 119886673
4-chloro-N-[(4-piperidin-1-yloxan-4-yl)methyl]pyridine-2-carboxamide
CID 136524945
5-methyl-1-(2-methylphenyl)-N-[(4-piperidin-1-yloxan-4-yl)methyl]pyrazole-4-carboxamide
CID 126775757
N-[2-(ethylamino)ethyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide;hydrochloride
CID 119508881
N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-oxo-6-(thiomorpholin-4-ylmethyl)-1H-pyridine-3-carboxamide
CID 56855909
N-[(4-piperidin-1-yloxan-4-yl)methyl]-2-pyrazol-1-ylpyridine-4-carboxamide
CID 154737203
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 66502657
2,4-dioxo-N-[(1-piperidin-1-ylcyclohexyl)methyl]-1H-pyrimidine-6-carboxamide
CID 56711486
N-[(4-piperidin-1-yloxan-4-yl)methyl]pyrrolidine-3-carboxamide
CID 119886746
N-[(4-methylphenyl)methyl]-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide
CID 66495254
N-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methyl]-2-oxo-1,5,6,7,8,9-hexahydrocyclohepta[b]pyridine-3-carboxamide
CID 127842404

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-[(4-piperidin-1-yloxan-4-yl)methyl]-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The IUPAC name of 2-oxo-N-[(4-piperidin-1-yloxan-4-yl)methyl]-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (CID 136524943) is 2-oxo-N-[(4-piperidin-1-yloxan-4-yl)methyl]-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.
What is the SMILES notation for 2-oxo-N-[(4-piperidin-1-yloxan-4-yl)methyl]-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The canonical SMILES for 2-oxo-N-[(4-piperidin-1-yloxan-4-yl)methyl]-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is O=C(NCC1(N2CCCCC2)CCOCC1)c1cc2c([nH]c1=O)CCCC2.
What is the InChIKey of 2-oxo-N-[(4-piperidin-1-yloxan-4-yl)methyl]-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The InChIKey is JYGNJKXTPKFRQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O3/c25-19(17-14-16-6-2-3-7-18(16)23-20(17)26)22-15-21(8-12-27-13-9-21)24-10-4-1-5-11-24/h14H,1-13,15H2,(H,22,25)(H,23,26).
What are the key properties of 2-oxo-N-[(4-piperidin-1-yloxan-4-yl)methyl]-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
2-oxo-N-[(4-piperidin-1-yloxan-4-yl)methyl]-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide has a molecular weight of 373.50 g/mol, XLogP of 2.02, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-[(4-piperidin-1-yloxan-4-yl)methyl]-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is sourced from PubChem (CID 136524943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).