N,3-dimethyl-5-[7-(piperidine-1-carbonyl)quinoxalin-2-yl]-1H-indole-2-carboxamide

C25H25N5O2 — CID 135300348

IUPACN,3-dimethyl-5-[7-(piperidine-1-carbonyl)quinoxalin-2-yl]-1H-indole-2-carboxamide
SMILESCNC(=O)c1[nH]c2ccc(-c3cnc4ccc(C(=O)N5CCCCC5)cc4n3)cc2c1C
InChIInChI=1S/C25H25N5O2/c1-15-18-12-16(6-8-19(18)29-23(15)24(31)26-2)22-14-27-20-9-7-17(13-21(20)28-22)25(32)30-10-4-3-5-11-30/h6-9,12-14,29H,3-5,10-11H2,1-2H3,(H,26,31)
InChIKeyJCVLDJHSUOETER-UHFFFAOYSA-N
MW427.51 g/mol
LogP4.07
Rot. Bonds3

About N,3-dimethyl-5-[7-(piperidine-1-carbonyl)quinoxalin-2-yl]-1H-indole-2-carboxamide

N,3-dimethyl-5-[7-(piperidine-1-carbonyl)quinoxalin-2-yl]-1H-indole-2-carboxamide (PubChem CID 135300348) has the molecular formula C25H25N5O2 and a molecular weight of 427.51 g/mol. Its IUPAC name is N,3-dimethyl-5-[7-(piperidine-1-carbonyl)quinoxalin-2-yl]-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN,3-dimethyl-5-[7-(piperidine-1-carbonyl)quinoxalin-2-yl]-1H-indole-2-carboxamide
PubChem CID135300348
Molecular FormulaC25H25N5O2
Molecular Weight427.51 g/mol
Exact Mass427.20
IUPAC NameN,3-dimethyl-5-[7-(piperidine-1-carbonyl)quinoxalin-2-yl]-1H-indole-2-carboxamide
SMILESCNC(=O)c1[nH]c2ccc(-c3cnc4ccc(C(=O)N5CCCCC5)cc4n3)cc2c1C
InChIInChI=1S/C25H25N5O2/c1-15-18-12-16(6-8-19(18)29-23(15)24(31)26-2)22-14-27-20-9-7-17(13-21(20)28-22)25(32)30-10-4-3-5-11-30/h6-9,12-14,29H,3-5,10-11H2,1-2H3,(H,26,31)
InChIKeyJCVLDJHSUOETER-UHFFFAOYSA-N
XLogP4.07
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.51
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

[3-(2-methylpyrimidin-5-yl)quinoxalin-6-yl]-piperidin-1-ylmethanone
CID 159555657
[3-(4-aminophenyl)quinoxalin-6-yl]-piperidin-1-ylmethanone
CID 135300412
(3-methylquinoxalin-6-yl)-piperidin-1-ylmethanone
CID 170073145
azocan-1-yl-(2,3-dimethylquinoxalin-6-yl)methanone
CID 47009187
[2-(methylamino)-3H-benzimidazol-5-yl]-pyrrolidin-1-ylmethanone
CID 145234818
piperidin-1-yl-[3-(3-piperidin-1-ylquinoxalin-6-yl)phenyl]methanone
CID 67035179
[3-(2-methylpyrazolo[3,4-b]pyridin-5-yl)quinoxalin-6-yl]-(1,4-oxazepan-4-yl)methanone
CID 172583210
6-[7-[(3R)-3-hydroxypiperidine-1-carbonyl]quinoxalin-2-yl]-2-methylisoquinolin-1-one
CID 172583004
(5-fluoro-3-methyl-1H-indol-2-yl)-piperidin-1-ylmethanone
CID 113204518
(2-methyl-1,3-benzothiazol-6-yl)-piperidin-1-ylmethanone
CID 3581764
(4-methyl-2-phenylquinazolin-7-yl)-piperidin-1-ylmethanone
CID 146476155
piperidin-1-yl-[5-(5H-pyrrolo[2,3-b]pyrazin-2-yl)thiophen-3-yl]methanone
CID 141369115

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-5-[7-(piperidine-1-carbonyl)quinoxalin-2-yl]-1H-indole-2-carboxamide?
The IUPAC name of N,3-dimethyl-5-[7-(piperidine-1-carbonyl)quinoxalin-2-yl]-1H-indole-2-carboxamide (CID 135300348) is N,3-dimethyl-5-[7-(piperidine-1-carbonyl)quinoxalin-2-yl]-1H-indole-2-carboxamide.
What is the SMILES notation for N,3-dimethyl-5-[7-(piperidine-1-carbonyl)quinoxalin-2-yl]-1H-indole-2-carboxamide?
The canonical SMILES for N,3-dimethyl-5-[7-(piperidine-1-carbonyl)quinoxalin-2-yl]-1H-indole-2-carboxamide is CNC(=O)c1[nH]c2ccc(-c3cnc4ccc(C(=O)N5CCCCC5)cc4n3)cc2c1C.
What is the InChIKey of N,3-dimethyl-5-[7-(piperidine-1-carbonyl)quinoxalin-2-yl]-1H-indole-2-carboxamide?
The InChIKey is JCVLDJHSUOETER-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O2/c1-15-18-12-16(6-8-19(18)29-23(15)24(31)26-2)22-14-27-20-9-7-17(13-21(20)28-22)25(32)30-10-4-3-5-11-30/h6-9,12-14,29H,3-5,10-11H2,1-2H3,(H,26,31).
What are the key properties of N,3-dimethyl-5-[7-(piperidine-1-carbonyl)quinoxalin-2-yl]-1H-indole-2-carboxamide?
N,3-dimethyl-5-[7-(piperidine-1-carbonyl)quinoxalin-2-yl]-1H-indole-2-carboxamide has a molecular weight of 427.51 g/mol, XLogP of 4.07, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-5-[7-(piperidine-1-carbonyl)quinoxalin-2-yl]-1H-indole-2-carboxamide is sourced from PubChem (CID 135300348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).