N-(2-aminoethyl)-1-(1-ethyl-2,3-dioxo-4H-quinoxaline-6-carbonyl)piperidine-3-carboxamide

C19H25N5O4 — CID 119481479

IUPACN-(2-aminoethyl)-1-(1-ethyl-2,3-dioxo-4H-quinoxaline-6-carbonyl)piperidine-3-carboxamide
SMILESCCn1c(=O)c(=O)[nH]c2cc(C(=O)N3CCCC(C(=O)NCCN)C3)ccc21
InChIInChI=1S/C19H25N5O4/c1-2-24-15-6-5-12(10-14(15)22-17(26)19(24)28)18(27)23-9-3-4-13(11-23)16(25)21-8-7-20/h5-6,10,13H,2-4,7-9,11,20H2,1H3,(H,21,25)(H,22,26)
InChIKeyUKGAVKMHGHDUMC-UHFFFAOYSA-N
MW387.44 g/mol
LogP-0.36
Rot. Bonds5

About N-(2-aminoethyl)-1-(1-ethyl-2,3-dioxo-4H-quinoxaline-6-carbonyl)piperidine-3-carboxamide

N-(2-aminoethyl)-1-(1-ethyl-2,3-dioxo-4H-quinoxaline-6-carbonyl)piperidine-3-carboxamide (PubChem CID 119481479) has the molecular formula C19H25N5O4 and a molecular weight of 387.44 g/mol. Its IUPAC name is N-(2-aminoethyl)-1-(1-ethyl-2,3-dioxo-4H-quinoxaline-6-carbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-1-(1-ethyl-2,3-dioxo-4H-quinoxaline-6-carbonyl)piperidine-3-carboxamide
PubChem CID119481479
Molecular FormulaC19H25N5O4
Molecular Weight387.44 g/mol
Exact Mass387.19
IUPAC NameN-(2-aminoethyl)-1-(1-ethyl-2,3-dioxo-4H-quinoxaline-6-carbonyl)piperidine-3-carboxamide
SMILESCCn1c(=O)c(=O)[nH]c2cc(C(=O)N3CCCC(C(=O)NCCN)C3)ccc21
InChIInChI=1S/C19H25N5O4/c1-2-24-15-6-5-12(10-14(15)22-17(26)19(24)28)18(27)23-9-3-4-13(11-23)16(25)21-8-7-20/h5-6,10,13H,2-4,7-9,11,20H2,1H3,(H,21,25)(H,22,26)
InChIKeyUKGAVKMHGHDUMC-UHFFFAOYSA-N
XLogP-0.36
TPSA130.29 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 5-0.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-(2-aminoethyl)-1-(1-ethyl-2,3-dioxo-4H-quinoxaline-6-carbonyl)piperidine-3-carboxamide with MolForge

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Related Compounds

7-[4-(aminomethyl)piperidine-1-carbonyl]-4-ethyl-1H-quinoxaline-2,3-dione;hydrochloride
CID 119423703
1-(1-ethyl-2,3-dioxo-4H-quinoxaline-6-carbonyl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide
CID 60600096
N-(2-aminoethyl)-1-(3-chloro-4-methylbenzoyl)piperidine-3-carboxamide
CID 119480976
N-(2-aminoethyl)-1-(3-chloro-4-methylbenzoyl)piperidine-3-carboxamide;hydrochloride
CID 119480975
N-(2-aminoethyl)-1-(3,4-difluorobenzoyl)piperidine-3-carboxamide;hydrochloride
CID 119481696
1-(4-acetylbenzoyl)-N-(2-aminoethyl)piperidine-3-carboxamide;hydrochloride
CID 119479334
N-(2-aminoethyl)-1-(4-fluoro-3-methylbenzoyl)piperidine-3-carboxamide;hydrochloride
CID 119481326
N-(2-aminoethyl)-1-(6-oxo-1H-pyridine-3-carbonyl)piperidine-3-carboxamide
CID 63252564
N-(2-aminoethyl)-1-[4-(diethylcarbamoyl)benzoyl]piperidine-3-carboxamide
CID 119481575
N-(2-aminoethyl)-1-(3-ethoxybenzoyl)piperidine-3-carboxamide
CID 119481465
N-(2-aminoethyl)-1-(5-phenyl-1H-pyrrole-2-carbonyl)piperidine-3-carboxamide;hydrochloride
CID 119480719
N-(2-aminoethyl)-1-(4-bromo-3-fluorobenzoyl)piperidine-3-carboxamide
CID 119385141

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-1-(1-ethyl-2,3-dioxo-4H-quinoxaline-6-carbonyl)piperidine-3-carboxamide?
The IUPAC name of N-(2-aminoethyl)-1-(1-ethyl-2,3-dioxo-4H-quinoxaline-6-carbonyl)piperidine-3-carboxamide (CID 119481479) is N-(2-aminoethyl)-1-(1-ethyl-2,3-dioxo-4H-quinoxaline-6-carbonyl)piperidine-3-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-1-(1-ethyl-2,3-dioxo-4H-quinoxaline-6-carbonyl)piperidine-3-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-1-(1-ethyl-2,3-dioxo-4H-quinoxaline-6-carbonyl)piperidine-3-carboxamide is CCn1c(=O)c(=O)[nH]c2cc(C(=O)N3CCCC(C(=O)NCCN)C3)ccc21.
What is the InChIKey of N-(2-aminoethyl)-1-(1-ethyl-2,3-dioxo-4H-quinoxaline-6-carbonyl)piperidine-3-carboxamide?
The InChIKey is UKGAVKMHGHDUMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O4/c1-2-24-15-6-5-12(10-14(15)22-17(26)19(24)28)18(27)23-9-3-4-13(11-23)16(25)21-8-7-20/h5-6,10,13H,2-4,7-9,11,20H2,1H3,(H,21,25)(H,22,26).
What are the key properties of N-(2-aminoethyl)-1-(1-ethyl-2,3-dioxo-4H-quinoxaline-6-carbonyl)piperidine-3-carboxamide?
N-(2-aminoethyl)-1-(1-ethyl-2,3-dioxo-4H-quinoxaline-6-carbonyl)piperidine-3-carboxamide has a molecular weight of 387.44 g/mol, XLogP of -0.36, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-1-(1-ethyl-2,3-dioxo-4H-quinoxaline-6-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 119481479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).