N-[2-(4-carbamoylpiperidin-1-yl)phenyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide

C24H28N4O4 — CID 56566792

IUPACN-[2-(4-carbamoylpiperidin-1-yl)phenyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide
SMILESCC1(C)CC(=O)c2cc(C(=O)Nc3ccccc3N3CCC(C(N)=O)CC3)c(=O)[nH]c2C1
InChIInChI=1S/C24H28N4O4/c1-24(2)12-18-15(20(29)13-24)11-16(23(32)27-18)22(31)26-17-5-3-4-6-19(17)28-9-7-14(8-10-28)21(25)30/h3-6,11,14H,7-10,12-13H2,1-2H3,(H2,25,30)(H,26,31)(H,27,32)
InChIKeyZKHLCWCMDCKPMD-UHFFFAOYSA-N
MW436.51 g/mol
LogP2.48
Rot. Bonds4

About N-[2-(4-carbamoylpiperidin-1-yl)phenyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide

N-[2-(4-carbamoylpiperidin-1-yl)phenyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide (PubChem CID 56566792) has the molecular formula C24H28N4O4 and a molecular weight of 436.51 g/mol. Its IUPAC name is N-[2-(4-carbamoylpiperidin-1-yl)phenyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-carbamoylpiperidin-1-yl)phenyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide
PubChem CID56566792
Molecular FormulaC24H28N4O4
Molecular Weight436.51 g/mol
Exact Mass436.21
IUPAC NameN-[2-(4-carbamoylpiperidin-1-yl)phenyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide
SMILESCC1(C)CC(=O)c2cc(C(=O)Nc3ccccc3N3CCC(C(N)=O)CC3)c(=O)[nH]c2C1
InChIInChI=1S/C24H28N4O4/c1-24(2)12-18-15(20(29)13-24)11-16(23(32)27-18)22(31)26-17-5-3-4-6-19(17)28-9-7-14(8-10-28)21(25)30/h3-6,11,14H,7-10,12-13H2,1-2H3,(H2,25,30)(H,26,31)(H,27,32)
InChIKeyZKHLCWCMDCKPMD-UHFFFAOYSA-N
XLogP2.48
TPSA125.36 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.51
LogP ≤ 52.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-carbamoylpiperidin-1-yl)phenyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide?
The IUPAC name of N-[2-(4-carbamoylpiperidin-1-yl)phenyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide (CID 56566792) is N-[2-(4-carbamoylpiperidin-1-yl)phenyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide.
What is the SMILES notation for N-[2-(4-carbamoylpiperidin-1-yl)phenyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide?
The canonical SMILES for N-[2-(4-carbamoylpiperidin-1-yl)phenyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide is CC1(C)CC(=O)c2cc(C(=O)Nc3ccccc3N3CCC(C(N)=O)CC3)c(=O)[nH]c2C1.
What is the InChIKey of N-[2-(4-carbamoylpiperidin-1-yl)phenyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide?
The InChIKey is ZKHLCWCMDCKPMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O4/c1-24(2)12-18-15(20(29)13-24)11-16(23(32)27-18)22(31)26-17-5-3-4-6-19(17)28-9-7-14(8-10-28)21(25)30/h3-6,11,14H,7-10,12-13H2,1-2H3,(H2,25,30)(H,26,31)(H,27,32).
What are the key properties of N-[2-(4-carbamoylpiperidin-1-yl)phenyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide?
N-[2-(4-carbamoylpiperidin-1-yl)phenyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide has a molecular weight of 436.51 g/mol, XLogP of 2.48, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-carbamoylpiperidin-1-yl)phenyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide is sourced from PubChem (CID 56566792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).