tert-butyl 4-(5-piperazin-1-yl-2-pyridinyl)-2,3-dihydroquinoxaline-1-carboxylate

C22H29N5O2 — CID 66863782

IUPACtert-butyl 4-(5-piperazin-1-yl-2-pyridinyl)-2,3-dihydroquinoxaline-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(c2ccc(N3CCNCC3)cn2)c2ccccc21
InChIInChI=1S/C22H29N5O2/c1-22(2,3)29-21(28)27-15-14-26(18-6-4-5-7-19(18)27)20-9-8-17(16-24-20)25-12-10-23-11-13-25/h4-9,16,23H,10-15H2,1-3H3
InChIKeyAOCYINSPDZUSPN-UHFFFAOYSA-N
MW395.51 g/mol
LogP3.38
Rot. Bonds2

About tert-butyl 4-(5-piperazin-1-yl-2-pyridinyl)-2,3-dihydroquinoxaline-1-carboxylate

tert-butyl 4-(5-piperazin-1-yl-2-pyridinyl)-2,3-dihydroquinoxaline-1-carboxylate (PubChem CID 66863782) has the molecular formula C22H29N5O2 and a molecular weight of 395.51 g/mol. Its IUPAC name is tert-butyl 4-(5-piperazin-1-yl-2-pyridinyl)-2,3-dihydroquinoxaline-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(5-piperazin-1-yl-2-pyridinyl)-2,3-dihydroquinoxaline-1-carboxylate
PubChem CID66863782
Molecular FormulaC22H29N5O2
Molecular Weight395.51 g/mol
Exact Mass395.23
IUPAC Nametert-butyl 4-(5-piperazin-1-yl-2-pyridinyl)-2,3-dihydroquinoxaline-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(c2ccc(N3CCNCC3)cn2)c2ccccc21
InChIInChI=1S/C22H29N5O2/c1-22(2,3)29-21(28)27-15-14-26(18-6-4-5-7-19(18)27)20-9-8-17(16-24-20)25-12-10-23-11-13-25/h4-9,16,23H,10-15H2,1-3H3
InChIKeyAOCYINSPDZUSPN-UHFFFAOYSA-N
XLogP3.38
TPSA60.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.51
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze tert-butyl 4-(5-piperazin-1-yl-2-pyridinyl)-2,3-dihydroquinoxaline-1-carboxylate with MolForge

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Related Compounds

tert-butyl 4-[5-(4-phenylmethoxycarbonylpiperazin-1-yl)-2-pyridinyl]-2,3-dihydroquinoxaline-1-carboxylate
CID 66863191
tert-butyl 4-(5-bromo-2-pyridinyl)-2,3-dihydroquinoxaline-1-carboxylate
CID 66863540
tert-butyl 4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]-2,3-dihydroquinoxaline-1-carboxylate
CID 66863847
4-(5-morpholin-4-yl-2-pyridinyl)-2,3-dihydroquinoxaline-1-carboxylic acid
CID 68734345
tert-butyl (3R)-3-[[4-(5-fluoro-2-pyridinyl)-2,3-dihydroquinoxaline-1-carbonyl]amino]pyrrolidine-1-carboxylate
CID 170612363
4-[5-[4-(2-methylpropylsulfonyl)piperazin-1-yl]-2-pyridinyl]-2,3-dihydroquinoxaline-1-carboxylic acid
CID 68735709
tert-butyl 4-[4-[4-(2-methoxyethylsulfonyl)piperazin-1-yl]phenyl]-2,3-dihydroquinoxaline-1-carboxylate
CID 66863434
tert-butyl 4-(6-pyrrolidin-1-yl-3-pyridinyl)-1,4-diazepane-1-carboxylate
CID 22478457
4-[5-(4-tert-butylpiperazin-1-yl)pyrimidin-2-yl]-2,3-dihydroquinoxaline-1-carboxylic acid
CID 68734107
tert-butyl 3-[(6-piperazin-1-yl-3-pyridinyl)oxy]azetidine-1-carboxylate
CID 58456721
2-(5-piperazin-1-yl-2-pyridinyl)isoindole-1,3-dione
CID 130622966
tert-butyl N-[(3S)-1-[4-(5-fluoro-2-pyridinyl)-2,3-dihydroquinoxaline-1-carbonyl]pyrrolidin-3-yl]carbamate
CID 170445975

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(5-piperazin-1-yl-2-pyridinyl)-2,3-dihydroquinoxaline-1-carboxylate?
The IUPAC name of tert-butyl 4-(5-piperazin-1-yl-2-pyridinyl)-2,3-dihydroquinoxaline-1-carboxylate (CID 66863782) is tert-butyl 4-(5-piperazin-1-yl-2-pyridinyl)-2,3-dihydroquinoxaline-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(5-piperazin-1-yl-2-pyridinyl)-2,3-dihydroquinoxaline-1-carboxylate?
The canonical SMILES for tert-butyl 4-(5-piperazin-1-yl-2-pyridinyl)-2,3-dihydroquinoxaline-1-carboxylate is CC(C)(C)OC(=O)N1CCN(c2ccc(N3CCNCC3)cn2)c2ccccc21.
What is the InChIKey of tert-butyl 4-(5-piperazin-1-yl-2-pyridinyl)-2,3-dihydroquinoxaline-1-carboxylate?
The InChIKey is AOCYINSPDZUSPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O2/c1-22(2,3)29-21(28)27-15-14-26(18-6-4-5-7-19(18)27)20-9-8-17(16-24-20)25-12-10-23-11-13-25/h4-9,16,23H,10-15H2,1-3H3.
What are the key properties of tert-butyl 4-(5-piperazin-1-yl-2-pyridinyl)-2,3-dihydroquinoxaline-1-carboxylate?
tert-butyl 4-(5-piperazin-1-yl-2-pyridinyl)-2,3-dihydroquinoxaline-1-carboxylate has a molecular weight of 395.51 g/mol, XLogP of 3.38, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(5-piperazin-1-yl-2-pyridinyl)-2,3-dihydroquinoxaline-1-carboxylate is sourced from PubChem (CID 66863782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).