N-[1-(1,2,3,4-tetrahydroquinoxaline-5-carbonyl)pyrrolidin-3-yl]acetamide

C15H20N4O2 — CID 104615269

IUPACN-[1-(1,2,3,4-tetrahydroquinoxaline-5-carbonyl)pyrrolidin-3-yl]acetamide
SMILESCC(=O)NC1CCN(C(=O)c2cccc3c2NCCN3)C1
InChIInChI=1S/C15H20N4O2/c1-10(20)18-11-5-8-19(9-11)15(21)12-3-2-4-13-14(12)17-7-6-16-13/h2-4,11,16-17H,5-9H2,1H3,(H,18,20)
InChIKeyCFICTXMQDDHWQY-UHFFFAOYSA-N
MW288.35 g/mol
LogP0.87
Rot. Bonds2

About N-[1-(1,2,3,4-tetrahydroquinoxaline-5-carbonyl)pyrrolidin-3-yl]acetamide

N-[1-(1,2,3,4-tetrahydroquinoxaline-5-carbonyl)pyrrolidin-3-yl]acetamide (PubChem CID 104615269) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is N-[1-(1,2,3,4-tetrahydroquinoxaline-5-carbonyl)pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[1-(1,2,3,4-tetrahydroquinoxaline-5-carbonyl)pyrrolidin-3-yl]acetamide
PubChem CID104615269
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC NameN-[1-(1,2,3,4-tetrahydroquinoxaline-5-carbonyl)pyrrolidin-3-yl]acetamide
SMILESCC(=O)NC1CCN(C(=O)c2cccc3c2NCCN3)C1
InChIInChI=1S/C15H20N4O2/c1-10(20)18-11-5-8-19(9-11)15(21)12-3-2-4-13-14(12)17-7-6-16-13/h2-4,11,16-17H,5-9H2,1H3,(H,18,20)
InChIKeyCFICTXMQDDHWQY-UHFFFAOYSA-N
XLogP0.87
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 50.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(3-methoxypyrrolidin-1-yl)-(1,2,3,4-tetrahydroquinoxalin-5-yl)methanone
CID 103533851
(3,4-dihydroxypyrrolidin-1-yl)-(1,2,3,4-tetrahydroquinoxalin-5-yl)methanone
CID 106669665
N-[1-(2-anilinobenzoyl)pyrrolidin-3-yl]acetamide
CID 154864837
N-[1-(2-amino-3-methylbenzoyl)piperidin-3-yl]acetamide
CID 61109681
[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-(1,2,3,4-tetrahydroquinoxalin-5-yl)methanone
CID 104615194
N-[(3S)-1-(3-fluorobenzoyl)pyrrolidin-3-yl]acetamide
CID 95051606
1-methyl-4-(1,2,3,4-tetrahydroquinoxaline-5-carbonyl)piperazin-2-one
CID 104615092
N-[(3R)-1-(3-fluorobenzoyl)pyrrolidin-3-yl]acetamide
CID 95051605
2-(3-acetamidopiperidine-1-carbonyl)pyridine-3-carboxylic acid
CID 63616081
N-[1-(2,3-dihydro-1H-indole-5-carbonyl)piperidin-3-yl]acetamide
CID 60947810
N-cyclohexyl-1,2,3,4-tetrahydroquinoxaline-5-carboxamide
CID 104614463
N-[1-(4-bromo-2-fluorobenzoyl)pyrrolidin-3-yl]acetamide
CID 113402341

Frequently Asked Questions

What is the IUPAC name of N-[1-(1,2,3,4-tetrahydroquinoxaline-5-carbonyl)pyrrolidin-3-yl]acetamide?
The IUPAC name of N-[1-(1,2,3,4-tetrahydroquinoxaline-5-carbonyl)pyrrolidin-3-yl]acetamide (CID 104615269) is N-[1-(1,2,3,4-tetrahydroquinoxaline-5-carbonyl)pyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-[1-(1,2,3,4-tetrahydroquinoxaline-5-carbonyl)pyrrolidin-3-yl]acetamide?
The canonical SMILES for N-[1-(1,2,3,4-tetrahydroquinoxaline-5-carbonyl)pyrrolidin-3-yl]acetamide is CC(=O)NC1CCN(C(=O)c2cccc3c2NCCN3)C1.
What is the InChIKey of N-[1-(1,2,3,4-tetrahydroquinoxaline-5-carbonyl)pyrrolidin-3-yl]acetamide?
The InChIKey is CFICTXMQDDHWQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-10(20)18-11-5-8-19(9-11)15(21)12-3-2-4-13-14(12)17-7-6-16-13/h2-4,11,16-17H,5-9H2,1H3,(H,18,20).
What are the key properties of N-[1-(1,2,3,4-tetrahydroquinoxaline-5-carbonyl)pyrrolidin-3-yl]acetamide?
N-[1-(1,2,3,4-tetrahydroquinoxaline-5-carbonyl)pyrrolidin-3-yl]acetamide has a molecular weight of 288.35 g/mol, XLogP of 0.87, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,2,3,4-tetrahydroquinoxaline-5-carbonyl)pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 104615269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).