N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1,2-dimethyl-3-oxo-2,4-dihydroquinoxaline-6-carboxamide;hydrochloride

C19H29ClN4O3 — CID 120887081

IUPACN-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1,2-dimethyl-3-oxo-2,4-dihydroquinoxaline-6-carboxamide;hydrochloride
SMILESCOCC1(CNC(=O)c2ccc3c(c2)NC(=O)C(C)N3C)CCNCC1.Cl
InChIInChI=1S/C19H28N4O3.ClH/c1-13-17(24)22-15-10-14(4-5-16(15)23(13)2)18(25)21-11-19(12-26-3)6-8-20-9-7-19;/h4-5,10,13,20H,6-9,11-12H2,1-3H3,(H,21,25)(H,22,24);1H
InChIKeyTWSRKTRMYSFXHZ-UHFFFAOYSA-N
MW396.92 g/mol
LogP1.63
Rot. Bonds5

About N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1,2-dimethyl-3-oxo-2,4-dihydroquinoxaline-6-carboxamide;hydrochloride

N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1,2-dimethyl-3-oxo-2,4-dihydroquinoxaline-6-carboxamide;hydrochloride (PubChem CID 120887081) has the molecular formula C19H29ClN4O3 and a molecular weight of 396.92 g/mol. Its IUPAC name is N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1,2-dimethyl-3-oxo-2,4-dihydroquinoxaline-6-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1,2-dimethyl-3-oxo-2,4-dihydroquinoxaline-6-carboxamide;hydrochloride
PubChem CID120887081
Molecular FormulaC19H29ClN4O3
Molecular Weight396.92 g/mol
Exact Mass396.19
IUPAC NameN-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1,2-dimethyl-3-oxo-2,4-dihydroquinoxaline-6-carboxamide;hydrochloride
SMILESCOCC1(CNC(=O)c2ccc3c(c2)NC(=O)C(C)N3C)CCNCC1.Cl
InChIInChI=1S/C19H28N4O3.ClH/c1-13-17(24)22-15-10-14(4-5-16(15)23(13)2)18(25)21-11-19(12-26-3)6-8-20-9-7-19;/h4-5,10,13,20H,6-9,11-12H2,1-3H3,(H,21,25)(H,22,24);1H
InChIKeyTWSRKTRMYSFXHZ-UHFFFAOYSA-N
XLogP1.63
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.92
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1,2-dimethyl-3-oxo-2,4-dihydroquinoxaline-6-carboxamide;hydrochloride?
The IUPAC name of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1,2-dimethyl-3-oxo-2,4-dihydroquinoxaline-6-carboxamide;hydrochloride (CID 120887081) is N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1,2-dimethyl-3-oxo-2,4-dihydroquinoxaline-6-carboxamide;hydrochloride.
What is the SMILES notation for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1,2-dimethyl-3-oxo-2,4-dihydroquinoxaline-6-carboxamide;hydrochloride?
The canonical SMILES for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1,2-dimethyl-3-oxo-2,4-dihydroquinoxaline-6-carboxamide;hydrochloride is COCC1(CNC(=O)c2ccc3c(c2)NC(=O)C(C)N3C)CCNCC1.Cl.
What is the InChIKey of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1,2-dimethyl-3-oxo-2,4-dihydroquinoxaline-6-carboxamide;hydrochloride?
The InChIKey is TWSRKTRMYSFXHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O3.ClH/c1-13-17(24)22-15-10-14(4-5-16(15)23(13)2)18(25)21-11-19(12-26-3)6-8-20-9-7-19;/h4-5,10,13,20H,6-9,11-12H2,1-3H3,(H,21,25)(H,22,24);1H.
What are the key properties of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1,2-dimethyl-3-oxo-2,4-dihydroquinoxaline-6-carboxamide;hydrochloride?
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1,2-dimethyl-3-oxo-2,4-dihydroquinoxaline-6-carboxamide;hydrochloride has a molecular weight of 396.92 g/mol, XLogP of 1.63, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1,2-dimethyl-3-oxo-2,4-dihydroquinoxaline-6-carboxamide;hydrochloride is sourced from PubChem (CID 120887081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).