[1-[2-(6-cyano-1-cyclopropyl-3-oxo-2,4-dihydroquinoxalin-2-yl)ethyl]piperidin-4-yl]carbamic acid

C20H25N5O3 — CID 69167300

IUPAC[1-[2-(6-cyano-1-cyclopropyl-3-oxo-2,4-dihydroquinoxalin-2-yl)ethyl]piperidin-4-yl]carbamic acid
SMILESN#Cc1ccc2c(c1)NC(=O)C(CCN1CCC(NC(=O)O)CC1)N2C1CC1
InChIInChI=1S/C20H25N5O3/c21-12-13-1-4-17-16(11-13)23-19(26)18(25(17)15-2-3-15)7-10-24-8-5-14(6-9-24)22-20(27)28/h1,4,11,14-15,18,22H,2-3,5-10H2,(H,23,26)(H,27,28)
InChIKeyYEJLRFDXHMQYIQ-UHFFFAOYSA-N
MW383.45 g/mol
LogP1.97
Rot. Bonds5

About [1-[2-(6-cyano-1-cyclopropyl-3-oxo-2,4-dihydroquinoxalin-2-yl)ethyl]piperidin-4-yl]carbamic acid

[1-[2-(6-cyano-1-cyclopropyl-3-oxo-2,4-dihydroquinoxalin-2-yl)ethyl]piperidin-4-yl]carbamic acid (PubChem CID 69167300) has the molecular formula C20H25N5O3 and a molecular weight of 383.45 g/mol. Its IUPAC name is [1-[2-(6-cyano-1-cyclopropyl-3-oxo-2,4-dihydroquinoxalin-2-yl)ethyl]piperidin-4-yl]carbamic acid.

Molecular Properties

Compound Name[1-[2-(6-cyano-1-cyclopropyl-3-oxo-2,4-dihydroquinoxalin-2-yl)ethyl]piperidin-4-yl]carbamic acid
PubChem CID69167300
Molecular FormulaC20H25N5O3
Molecular Weight383.45 g/mol
Exact Mass383.20
IUPAC Name[1-[2-(6-cyano-1-cyclopropyl-3-oxo-2,4-dihydroquinoxalin-2-yl)ethyl]piperidin-4-yl]carbamic acid
SMILESN#Cc1ccc2c(c1)NC(=O)C(CCN1CCC(NC(=O)O)CC1)N2C1CC1
InChIInChI=1S/C20H25N5O3/c21-12-13-1-4-17-16(11-13)23-19(26)18(25(17)15-2-3-15)7-10-24-8-5-14(6-9-24)22-20(27)28/h1,4,11,14-15,18,22H,2-3,5-10H2,(H,23,26)(H,27,28)
InChIKeyYEJLRFDXHMQYIQ-UHFFFAOYSA-N
XLogP1.97
TPSA108.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[2-(6-cyano-1-cyclopropyl-3-oxo-2,4-dihydroquinoxalin-2-yl)ethyl]piperidin-4-yl]carbamic acid?
The IUPAC name of [1-[2-(6-cyano-1-cyclopropyl-3-oxo-2,4-dihydroquinoxalin-2-yl)ethyl]piperidin-4-yl]carbamic acid (CID 69167300) is [1-[2-(6-cyano-1-cyclopropyl-3-oxo-2,4-dihydroquinoxalin-2-yl)ethyl]piperidin-4-yl]carbamic acid.
What is the SMILES notation for [1-[2-(6-cyano-1-cyclopropyl-3-oxo-2,4-dihydroquinoxalin-2-yl)ethyl]piperidin-4-yl]carbamic acid?
The canonical SMILES for [1-[2-(6-cyano-1-cyclopropyl-3-oxo-2,4-dihydroquinoxalin-2-yl)ethyl]piperidin-4-yl]carbamic acid is N#Cc1ccc2c(c1)NC(=O)C(CCN1CCC(NC(=O)O)CC1)N2C1CC1.
What is the InChIKey of [1-[2-(6-cyano-1-cyclopropyl-3-oxo-2,4-dihydroquinoxalin-2-yl)ethyl]piperidin-4-yl]carbamic acid?
The InChIKey is YEJLRFDXHMQYIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O3/c21-12-13-1-4-17-16(11-13)23-19(26)18(25(17)15-2-3-15)7-10-24-8-5-14(6-9-24)22-20(27)28/h1,4,11,14-15,18,22H,2-3,5-10H2,(H,23,26)(H,27,28).
What are the key properties of [1-[2-(6-cyano-1-cyclopropyl-3-oxo-2,4-dihydroquinoxalin-2-yl)ethyl]piperidin-4-yl]carbamic acid?
[1-[2-(6-cyano-1-cyclopropyl-3-oxo-2,4-dihydroquinoxalin-2-yl)ethyl]piperidin-4-yl]carbamic acid has a molecular weight of 383.45 g/mol, XLogP of 1.97, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(6-cyano-1-cyclopropyl-3-oxo-2,4-dihydroquinoxalin-2-yl)ethyl]piperidin-4-yl]carbamic acid is sourced from PubChem (CID 69167300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).