tert-butyl N-[1-[3-[3-(dimethylamino)-2-oxoquinoxalin-1-yl]propanoyl]piperidin-4-yl]carbamate

C23H33N5O4 — CID 91951145

IUPACtert-butyl N-[1-[3-[3-(dimethylamino)-2-oxoquinoxalin-1-yl]propanoyl]piperidin-4-yl]carbamate
SMILESCN(C)c1nc2ccccc2n(CCC(=O)N2CCC(NC(=O)OC(C)(C)C)CC2)c1=O
InChIInChI=1S/C23H33N5O4/c1-23(2,3)32-22(31)24-16-10-13-27(14-11-16)19(29)12-15-28-18-9-7-6-8-17(18)25-20(21(28)30)26(4)5/h6-9,16H,10-15H2,1-5H3,(H,24,31)
InChIKeyMSPWJIHPZIIKSK-UHFFFAOYSA-N
MW443.55 g/mol
LogP2.37
Rot. Bonds5

About tert-butyl N-[1-[3-[3-(dimethylamino)-2-oxoquinoxalin-1-yl]propanoyl]piperidin-4-yl]carbamate

tert-butyl N-[1-[3-[3-(dimethylamino)-2-oxoquinoxalin-1-yl]propanoyl]piperidin-4-yl]carbamate (PubChem CID 91951145) has the molecular formula C23H33N5O4 and a molecular weight of 443.55 g/mol. Its IUPAC name is tert-butyl N-[1-[3-[3-(dimethylamino)-2-oxoquinoxalin-1-yl]propanoyl]piperidin-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[3-[3-(dimethylamino)-2-oxoquinoxalin-1-yl]propanoyl]piperidin-4-yl]carbamate
PubChem CID91951145
Molecular FormulaC23H33N5O4
Molecular Weight443.55 g/mol
Exact Mass443.25
IUPAC Nametert-butyl N-[1-[3-[3-(dimethylamino)-2-oxoquinoxalin-1-yl]propanoyl]piperidin-4-yl]carbamate
SMILESCN(C)c1nc2ccccc2n(CCC(=O)N2CCC(NC(=O)OC(C)(C)C)CC2)c1=O
InChIInChI=1S/C23H33N5O4/c1-23(2,3)32-22(31)24-16-10-13-27(14-11-16)19(29)12-15-28-18-9-7-6-8-17(18)25-20(21(28)30)26(4)5/h6-9,16H,10-15H2,1-5H3,(H,24,31)
InChIKeyMSPWJIHPZIIKSK-UHFFFAOYSA-N
XLogP2.37
TPSA96.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.55
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze tert-butyl N-[1-[3-[3-(dimethylamino)-2-oxoquinoxalin-1-yl]propanoyl]piperidin-4-yl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(dimethylamino)-1-[3-(2-methylpiperidin-1-yl)-3-oxopropyl]quinoxalin-2-one
CID 91951068
3-(dimethylamino)-1-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]quinoxalin-2-one
CID 91951087
tert-butyl N-[1-[N'-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]carbamimidoyl]pyrrolidin-3-yl]carbamate;hydroiodide
CID 111730328
1-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-3-piperidin-1-ylquinoxalin-2-one
CID 91951447
tert-butyl N-(1-butanoylpiperidin-4-yl)carbamate
CID 52622771
tert-butyl N-[1-(3-chloropropanoyl)piperidin-4-yl]carbamate
CID 124703982
4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-4-oxobutanoic acid
CID 25250198
tert-butyl N-[1-[4-[N-(2-cyanoethyl)anilino]-4-oxobutanoyl]piperidin-4-yl]carbamate
CID 56513571
tert-butyl N-[(3S)-1-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]pyrrolidin-3-yl]carbamate
CID 97174156
tert-butyl N-(1-quinoxalin-2-ylpiperidin-4-yl)carbamate
CID 71632141
tert-butyl N-[1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanoyl]piperidin-4-yl]carbamate
CID 71829080
tert-butyl N-[(3S)-1-[1-[(4-bromophenyl)methyl]benzimidazol-2-yl]pyrrolidin-3-yl]carbamate
CID 97174152

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[3-[3-(dimethylamino)-2-oxoquinoxalin-1-yl]propanoyl]piperidin-4-yl]carbamate?
The IUPAC name of tert-butyl N-[1-[3-[3-(dimethylamino)-2-oxoquinoxalin-1-yl]propanoyl]piperidin-4-yl]carbamate (CID 91951145) is tert-butyl N-[1-[3-[3-(dimethylamino)-2-oxoquinoxalin-1-yl]propanoyl]piperidin-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[3-[3-(dimethylamino)-2-oxoquinoxalin-1-yl]propanoyl]piperidin-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-[3-[3-(dimethylamino)-2-oxoquinoxalin-1-yl]propanoyl]piperidin-4-yl]carbamate is CN(C)c1nc2ccccc2n(CCC(=O)N2CCC(NC(=O)OC(C)(C)C)CC2)c1=O.
What is the InChIKey of tert-butyl N-[1-[3-[3-(dimethylamino)-2-oxoquinoxalin-1-yl]propanoyl]piperidin-4-yl]carbamate?
The InChIKey is MSPWJIHPZIIKSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N5O4/c1-23(2,3)32-22(31)24-16-10-13-27(14-11-16)19(29)12-15-28-18-9-7-6-8-17(18)25-20(21(28)30)26(4)5/h6-9,16H,10-15H2,1-5H3,(H,24,31).
What are the key properties of tert-butyl N-[1-[3-[3-(dimethylamino)-2-oxoquinoxalin-1-yl]propanoyl]piperidin-4-yl]carbamate?
tert-butyl N-[1-[3-[3-(dimethylamino)-2-oxoquinoxalin-1-yl]propanoyl]piperidin-4-yl]carbamate has a molecular weight of 443.55 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[3-[3-(dimethylamino)-2-oxoquinoxalin-1-yl]propanoyl]piperidin-4-yl]carbamate is sourced from PubChem (CID 91951145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).