N-cyclohexyl-4-(quinoxaline-2-carbonyl)piperazine-1-carboxamide

C20H25N5O2 — CID 55595762

IUPACN-cyclohexyl-4-(quinoxaline-2-carbonyl)piperazine-1-carboxamide
SMILESO=C(NC1CCCCC1)N1CCN(C(=O)c2cnc3ccccc3n2)CC1
InChIInChI=1S/C20H25N5O2/c26-19(18-14-21-16-8-4-5-9-17(16)23-18)24-10-12-25(13-11-24)20(27)22-15-6-2-1-3-7-15/h4-5,8-9,14-15H,1-3,6-7,10-13H2,(H,22,27)
InChIKeyVLEKGMLUWKJDLE-UHFFFAOYSA-N
MW367.45 g/mol
LogP2.43
Rot. Bonds2

About N-cyclohexyl-4-(quinoxaline-2-carbonyl)piperazine-1-carboxamide

N-cyclohexyl-4-(quinoxaline-2-carbonyl)piperazine-1-carboxamide (PubChem CID 55595762) has the molecular formula C20H25N5O2 and a molecular weight of 367.45 g/mol. Its IUPAC name is N-cyclohexyl-4-(quinoxaline-2-carbonyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-4-(quinoxaline-2-carbonyl)piperazine-1-carboxamide
PubChem CID55595762
Molecular FormulaC20H25N5O2
Molecular Weight367.45 g/mol
Exact Mass367.20
IUPAC NameN-cyclohexyl-4-(quinoxaline-2-carbonyl)piperazine-1-carboxamide
SMILESO=C(NC1CCCCC1)N1CCN(C(=O)c2cnc3ccccc3n2)CC1
InChIInChI=1S/C20H25N5O2/c26-19(18-14-21-16-8-4-5-9-17(16)23-18)24-10-12-25(13-11-24)20(27)22-15-6-2-1-3-7-15/h4-5,8-9,14-15H,1-3,6-7,10-13H2,(H,22,27)
InChIKeyVLEKGMLUWKJDLE-UHFFFAOYSA-N
XLogP2.43
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclooctylquinoxaline-2-carboxamide
CID 22136387
[4-(methylamino)piperidin-1-yl]-quinoxalin-2-ylmethanone;dihydrochloride
CID 119559840
[4-(cyclohexylmethyl)-1,4-diazepan-1-yl]-quinoxalin-2-ylmethanone
CID 47067486
(4-aminopiperidin-1-yl)-quinoxalin-2-ylmethanone
CID 103629630
[4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]-quinoxalin-2-ylmethanone
CID 95758800
N-[1-(cyclohexanecarbonyl)piperidin-4-yl]quinoxaline-2-carboxamide
CID 47031610
N-cyclohexyl-4-(6-methylpyridine-2-carbonyl)-1,4-diazepane-1-carboxamide
CID 138378584
N-[1-(quinoxaline-2-carbonyl)piperidin-4-yl]benzenesulfonamide
CID 33332472
(4-pyrimidin-2-yloxypiperidin-1-yl)-quinoxalin-2-ylmethanone
CID 90558787
N-[1-(quinoxaline-2-carbonyl)piperidin-4-yl]propane-1-sulfonamide
CID 55655273
N-cyclohexyl-4-(2-phenylquinoline-4-carbonyl)piperazine-1-carboxamide
CID 44758914
(3-aminopiperidin-1-yl)-quinoxalin-2-ylmethanone
CID 103629638

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-(quinoxaline-2-carbonyl)piperazine-1-carboxamide?
The IUPAC name of N-cyclohexyl-4-(quinoxaline-2-carbonyl)piperazine-1-carboxamide (CID 55595762) is N-cyclohexyl-4-(quinoxaline-2-carbonyl)piperazine-1-carboxamide.
What is the SMILES notation for N-cyclohexyl-4-(quinoxaline-2-carbonyl)piperazine-1-carboxamide?
The canonical SMILES for N-cyclohexyl-4-(quinoxaline-2-carbonyl)piperazine-1-carboxamide is O=C(NC1CCCCC1)N1CCN(C(=O)c2cnc3ccccc3n2)CC1.
What is the InChIKey of N-cyclohexyl-4-(quinoxaline-2-carbonyl)piperazine-1-carboxamide?
The InChIKey is VLEKGMLUWKJDLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O2/c26-19(18-14-21-16-8-4-5-9-17(16)23-18)24-10-12-25(13-11-24)20(27)22-15-6-2-1-3-7-15/h4-5,8-9,14-15H,1-3,6-7,10-13H2,(H,22,27).
What are the key properties of N-cyclohexyl-4-(quinoxaline-2-carbonyl)piperazine-1-carboxamide?
N-cyclohexyl-4-(quinoxaline-2-carbonyl)piperazine-1-carboxamide has a molecular weight of 367.45 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-(quinoxaline-2-carbonyl)piperazine-1-carboxamide is sourced from PubChem (CID 55595762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).