1-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]-3-oxo-2,4-dihydroquinoxaline-6-carboxamide

C19H28N4O2 — CID 20968106

IUPAC1-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]-3-oxo-2,4-dihydroquinoxaline-6-carboxamide
SMILESCC1CCCCN1CCCNC(=O)c1ccc2c(c1)NC(=O)CN2C
InChIInChI=1S/C19H28N4O2/c1-14-6-3-4-10-23(14)11-5-9-20-19(25)15-7-8-17-16(12-15)21-18(24)13-22(17)2/h7-8,12,14H,3-6,9-11,13H2,1-2H3,(H,20,25)(H,21,24)
InChIKeyAOHQQAFGWOUTRF-UHFFFAOYSA-N
MW344.46 g/mol
LogP2.07
Rot. Bonds5

About 1-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]-3-oxo-2,4-dihydroquinoxaline-6-carboxamide

1-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]-3-oxo-2,4-dihydroquinoxaline-6-carboxamide (PubChem CID 20968106) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is 1-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]-3-oxo-2,4-dihydroquinoxaline-6-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]-3-oxo-2,4-dihydroquinoxaline-6-carboxamide
PubChem CID20968106
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC Name1-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]-3-oxo-2,4-dihydroquinoxaline-6-carboxamide
SMILESCC1CCCCN1CCCNC(=O)c1ccc2c(c1)NC(=O)CN2C
InChIInChI=1S/C19H28N4O2/c1-14-6-3-4-10-23(14)11-5-9-20-19(25)15-7-8-17-16(12-15)21-18(24)13-22(17)2/h7-8,12,14H,3-6,9-11,13H2,1-2H3,(H,20,25)(H,21,24)
InChIKeyAOHQQAFGWOUTRF-UHFFFAOYSA-N
XLogP2.07
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(2-methylpiperidin-1-yl)propyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 3504234
3,4-dichloro-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]benzamide
CID 9473209
4-hydroxy-3-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]benzamide
CID 103956294
(2S)-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-3-oxo-2-piperidin-1-yl-4H-1,4-benzothiazine-6-carboxamide
CID 99736744
4-amino-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]benzamide
CID 38989093
4-bromo-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]benzamide
CID 7998756
N-[3-(2-methylpiperidin-1-yl)propyl]benzamide
CID 60668475
N-[4-(2-methylpiperidin-1-yl)butyl]naphthalene-2-carboxamide
CID 51115795
N-[2-(cycloheptylamino)ethyl]-1-methyl-4-oxo-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide
CID 119620864
2-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 51221584
N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-4-methylsulfanylbenzamide
CID 9473480
N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]-4-methylsulfonylbenzamide
CID 9473048

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]-3-oxo-2,4-dihydroquinoxaline-6-carboxamide?
The IUPAC name of 1-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]-3-oxo-2,4-dihydroquinoxaline-6-carboxamide (CID 20968106) is 1-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]-3-oxo-2,4-dihydroquinoxaline-6-carboxamide.
What is the SMILES notation for 1-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]-3-oxo-2,4-dihydroquinoxaline-6-carboxamide?
The canonical SMILES for 1-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]-3-oxo-2,4-dihydroquinoxaline-6-carboxamide is CC1CCCCN1CCCNC(=O)c1ccc2c(c1)NC(=O)CN2C.
What is the InChIKey of 1-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]-3-oxo-2,4-dihydroquinoxaline-6-carboxamide?
The InChIKey is AOHQQAFGWOUTRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2/c1-14-6-3-4-10-23(14)11-5-9-20-19(25)15-7-8-17-16(12-15)21-18(24)13-22(17)2/h7-8,12,14H,3-6,9-11,13H2,1-2H3,(H,20,25)(H,21,24).
What are the key properties of 1-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]-3-oxo-2,4-dihydroquinoxaline-6-carboxamide?
1-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]-3-oxo-2,4-dihydroquinoxaline-6-carboxamide has a molecular weight of 344.46 g/mol, XLogP of 2.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]-3-oxo-2,4-dihydroquinoxaline-6-carboxamide is sourced from PubChem (CID 20968106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).