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

C16H24N4O — CID 104614849

IUPACN-[(1-methylpiperidin-4-yl)methyl]-1,2,3,4-tetrahydroquinoxaline-6-carboxamide
SMILESCN1CCC(CNC(=O)c2ccc3c(c2)NCCN3)CC1
InChIInChI=1S/C16H24N4O/c1-20-8-4-12(5-9-20)11-19-16(21)13-2-3-14-15(10-13)18-7-6-17-14/h2-3,10,12,17-18H,4-9,11H2,1H3,(H,19,21)
InChIKeyRVCLGIGSLAEZLC-UHFFFAOYSA-N
MW288.39 g/mol
LogP1.60
Rot. Bonds3

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

N-[(1-methylpiperidin-4-yl)methyl]-1,2,3,4-tetrahydroquinoxaline-6-carboxamide (PubChem CID 104614849) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is N-[(1-methylpiperidin-4-yl)methyl]-1,2,3,4-tetrahydroquinoxaline-6-carboxamide.

Molecular Properties

Compound NameN-[(1-methylpiperidin-4-yl)methyl]-1,2,3,4-tetrahydroquinoxaline-6-carboxamide
PubChem CID104614849
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC NameN-[(1-methylpiperidin-4-yl)methyl]-1,2,3,4-tetrahydroquinoxaline-6-carboxamide
SMILESCN1CCC(CNC(=O)c2ccc3c(c2)NCCN3)CC1
InChIInChI=1S/C16H24N4O/c1-20-8-4-12(5-9-20)11-19-16(21)13-2-3-14-15(10-13)18-7-6-17-14/h2-3,10,12,17-18H,4-9,11H2,1H3,(H,19,21)
InChIKeyRVCLGIGSLAEZLC-UHFFFAOYSA-N
XLogP1.60
TPSA56.40 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-methylcyclohexyl)methyl]-1,2,3,4-tetrahydroquinoxaline-6-carboxamide
CID 104614995
4-methoxy-N-[(1-methylpiperidin-4-yl)methyl]benzamide
CID 16895310
N-(1,3-dimethylpiperidin-4-yl)-1,2,3,4-tetrahydroquinoxaline-6-carboxamide
CID 114504320
4-amino-3-fluoro-N-[(1-methylpiperidin-4-yl)methyl]benzamide
CID 62682426
3,4-dimethoxy-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide
CID 110737466
3,5-dihydroxy-N-[(1-methylpiperidin-4-yl)methyl]benzamide
CID 104938964
4-hydrazinyl-3-methyl-N-[(1-methylpiperidin-4-yl)methyl]benzamide
CID 63211845
N-[(1-methylpiperidin-4-yl)methyl]-4-(trifluoromethyl)benzamide
CID 16895340
4-ethoxy-N-[(1-methylpiperidin-4-yl)methyl]benzamide
CID 16895373
4-[(1-methylpyrrolidin-3-yl)methylcarbamoyl]benzoic acid
CID 54926955
N-[2-[cyclopropyl(methyl)amino]ethyl]-1,2,3,4-tetrahydroquinoxaline-6-carboxamide
CID 104614971
N-[(4-hydroxycyclohexyl)methyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 106135432

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpiperidin-4-yl)methyl]-1,2,3,4-tetrahydroquinoxaline-6-carboxamide?
The IUPAC name of N-[(1-methylpiperidin-4-yl)methyl]-1,2,3,4-tetrahydroquinoxaline-6-carboxamide (CID 104614849) is N-[(1-methylpiperidin-4-yl)methyl]-1,2,3,4-tetrahydroquinoxaline-6-carboxamide.
What is the SMILES notation for N-[(1-methylpiperidin-4-yl)methyl]-1,2,3,4-tetrahydroquinoxaline-6-carboxamide?
The canonical SMILES for N-[(1-methylpiperidin-4-yl)methyl]-1,2,3,4-tetrahydroquinoxaline-6-carboxamide is CN1CCC(CNC(=O)c2ccc3c(c2)NCCN3)CC1.
What is the InChIKey of N-[(1-methylpiperidin-4-yl)methyl]-1,2,3,4-tetrahydroquinoxaline-6-carboxamide?
The InChIKey is RVCLGIGSLAEZLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-20-8-4-12(5-9-20)11-19-16(21)13-2-3-14-15(10-13)18-7-6-17-14/h2-3,10,12,17-18H,4-9,11H2,1H3,(H,19,21).
What are the key properties of N-[(1-methylpiperidin-4-yl)methyl]-1,2,3,4-tetrahydroquinoxaline-6-carboxamide?
N-[(1-methylpiperidin-4-yl)methyl]-1,2,3,4-tetrahydroquinoxaline-6-carboxamide has a molecular weight of 288.39 g/mol, XLogP of 1.60, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpiperidin-4-yl)methyl]-1,2,3,4-tetrahydroquinoxaline-6-carboxamide is sourced from PubChem (CID 104614849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).