3-(4-methylpiperidine-1-carbonyl)-1,6,7,8-tetrahydroquinoline-2,5-dione

C16H20N2O3 — CID 36772912

IUPAC3-(4-methylpiperidine-1-carbonyl)-1,6,7,8-tetrahydroquinoline-2,5-dione
SMILESCC1CCN(C(=O)c2cc3c([nH]c2=O)CCCC3=O)CC1
InChIInChI=1S/C16H20N2O3/c1-10-5-7-18(8-6-10)16(21)12-9-11-13(17-15(12)20)3-2-4-14(11)19/h9-10H,2-8H2,1H3,(H,17,20)
InChIKeyJHQXEWKLPICZAE-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.77
Rot. Bonds1

About 3-(4-methylpiperidine-1-carbonyl)-1,6,7,8-tetrahydroquinoline-2,5-dione

3-(4-methylpiperidine-1-carbonyl)-1,6,7,8-tetrahydroquinoline-2,5-dione (PubChem CID 36772912) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 3-(4-methylpiperidine-1-carbonyl)-1,6,7,8-tetrahydroquinoline-2,5-dione.

Molecular Properties

Compound Name3-(4-methylpiperidine-1-carbonyl)-1,6,7,8-tetrahydroquinoline-2,5-dione
PubChem CID36772912
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name3-(4-methylpiperidine-1-carbonyl)-1,6,7,8-tetrahydroquinoline-2,5-dione
SMILESCC1CCN(C(=O)c2cc3c([nH]c2=O)CCCC3=O)CC1
InChIInChI=1S/C16H20N2O3/c1-10-5-7-18(8-6-10)16(21)12-9-11-13(17-15(12)20)3-2-4-14(11)19/h9-10H,2-8H2,1H3,(H,17,20)
InChIKeyJHQXEWKLPICZAE-UHFFFAOYSA-N
XLogP1.77
TPSA70.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohexyl-N-ethyl-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 37586822
2-hydroxy-7-methyl-3-(morpholin-4-ylcarbonyl)-7,8-dihydroquinolin-5(6H)-one
CID 51054568
2-hydroxy-6-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]-5,6,7,8-tetrahydroquinoline-3-carboxamide
CID 51054870
2-hydroxy-7-methyl-3-[(4-methylpiperazin-1-yl)carbonyl]-7,8-dihydroquinolin-5(6H)-one
CID 52996575
N-cyclopropyl-N-(3-methylbutyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 53564036
N-cyclopropyl-N-(3-methylbutan-2-yl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 71935591
N-cyclohexyl-2,5-dioxo-N-propyl-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 71935794
N-(cyclohexylmethyl)-N-cyclopropyl-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 71938311
5-acetyl-6-methyl-3-(piperidin-1-ylcarbonyl)pyridin-2(1H)-one
CID 17027579
N-(3-methylbutyl)-2,5-dioxo-1,2,5,6,7,8-hexahydroquinoline-3-carboxamide
CID 33330369
(6S)-6-methyl-3-(4-methylpiperazine-1-carbonyl)-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 52323000
N-(cyclopropylmethyl)-2-hydroxy-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinoline-3-carboxamide
CID 52897924

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylpiperidine-1-carbonyl)-1,6,7,8-tetrahydroquinoline-2,5-dione?
The IUPAC name of 3-(4-methylpiperidine-1-carbonyl)-1,6,7,8-tetrahydroquinoline-2,5-dione (CID 36772912) is 3-(4-methylpiperidine-1-carbonyl)-1,6,7,8-tetrahydroquinoline-2,5-dione.
What is the SMILES notation for 3-(4-methylpiperidine-1-carbonyl)-1,6,7,8-tetrahydroquinoline-2,5-dione?
The canonical SMILES for 3-(4-methylpiperidine-1-carbonyl)-1,6,7,8-tetrahydroquinoline-2,5-dione is CC1CCN(C(=O)c2cc3c([nH]c2=O)CCCC3=O)CC1.
What is the InChIKey of 3-(4-methylpiperidine-1-carbonyl)-1,6,7,8-tetrahydroquinoline-2,5-dione?
The InChIKey is JHQXEWKLPICZAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-10-5-7-18(8-6-10)16(21)12-9-11-13(17-15(12)20)3-2-4-14(11)19/h9-10H,2-8H2,1H3,(H,17,20).
What are the key properties of 3-(4-methylpiperidine-1-carbonyl)-1,6,7,8-tetrahydroquinoline-2,5-dione?
3-(4-methylpiperidine-1-carbonyl)-1,6,7,8-tetrahydroquinoline-2,5-dione has a molecular weight of 288.35 g/mol, XLogP of 1.77, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylpiperidine-1-carbonyl)-1,6,7,8-tetrahydroquinoline-2,5-dione is sourced from PubChem (CID 36772912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).