N-phenyl-1-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperidine-3-carboxamide

C22H25N5O — CID 91890404

IUPACN-phenyl-1-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperidine-3-carboxamide
SMILESO=C(Nc1ccccc1)C1CCCN(c2nccn3nc4c(c23)CCCC4)C1
InChIInChI=1S/C22H25N5O/c28-22(24-17-8-2-1-3-9-17)16-7-6-13-26(15-16)21-20-18-10-4-5-11-19(18)25-27(20)14-12-23-21/h1-3,8-9,12,14,16H,4-7,10-11,13,15H2,(H,24,28)
InChIKeyJLTRMHKDILNMEP-UHFFFAOYSA-N
MW375.48 g/mol
LogP3.46
Rot. Bonds3

About N-phenyl-1-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperidine-3-carboxamide

N-phenyl-1-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperidine-3-carboxamide (PubChem CID 91890404) has the molecular formula C22H25N5O and a molecular weight of 375.48 g/mol. Its IUPAC name is N-phenyl-1-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-phenyl-1-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperidine-3-carboxamide
PubChem CID91890404
Molecular FormulaC22H25N5O
Molecular Weight375.48 g/mol
Exact Mass375.21
IUPAC NameN-phenyl-1-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperidine-3-carboxamide
SMILESO=C(Nc1ccccc1)C1CCCN(c2nccn3nc4c(c23)CCCC4)C1
InChIInChI=1S/C22H25N5O/c28-22(24-17-8-2-1-3-9-17)16-7-6-13-26(15-16)21-20-18-10-4-5-11-19(18)25-27(20)14-12-23-21/h1-3,8-9,12,14,16H,4-7,10-11,13,15H2,(H,24,28)
InChIKeyJLTRMHKDILNMEP-UHFFFAOYSA-N
XLogP3.46
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-N-(2-fluorophenyl)-1-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperidine-3-carboxamide
CID 125127509
(3S)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-1-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperidine-3-carboxamide
CID 125129193
(3R)-N-(cyclopropylmethyl)-1-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperidine-3-carboxamide
CID 125127085
(3R)-N-propyl-1-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperidine-3-carboxamide
CID 125127332
1-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
CID 91890436
(3R)-N-butyl-1-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperidine-3-carboxamide
CID 125128650
(3S)-N-[(2,4-difluorophenyl)methyl]-1-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperidine-3-carboxamide
CID 125127465
(3S)-N-[(3,4-dimethoxyphenyl)methyl]-1-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperidine-3-carboxamide
CID 125127002
N-[(3-ethoxyphenyl)methyl]-1-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperidine-3-carboxamide
CID 91890429
(3R)-N-phenyl-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 51443831
[4-(2-methylphenyl)piperazin-1-yl]-[1-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperidin-4-yl]methanone
CID 91890368
(3R)-1-[3-(2-methylphenoxy)pyrazin-2-yl]-N-(4-methylphenyl)piperidine-3-carboxamide
CID 95050506

Frequently Asked Questions

What is the IUPAC name of N-phenyl-1-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperidine-3-carboxamide?
The IUPAC name of N-phenyl-1-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperidine-3-carboxamide (CID 91890404) is N-phenyl-1-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperidine-3-carboxamide.
What is the SMILES notation for N-phenyl-1-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperidine-3-carboxamide?
The canonical SMILES for N-phenyl-1-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperidine-3-carboxamide is O=C(Nc1ccccc1)C1CCCN(c2nccn3nc4c(c23)CCCC4)C1.
What is the InChIKey of N-phenyl-1-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperidine-3-carboxamide?
The InChIKey is JLTRMHKDILNMEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O/c28-22(24-17-8-2-1-3-9-17)16-7-6-13-26(15-16)21-20-18-10-4-5-11-19(18)25-27(20)14-12-23-21/h1-3,8-9,12,14,16H,4-7,10-11,13,15H2,(H,24,28).
What are the key properties of N-phenyl-1-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperidine-3-carboxamide?
N-phenyl-1-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperidine-3-carboxamide has a molecular weight of 375.48 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-1-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperidine-3-carboxamide is sourced from PubChem (CID 91890404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).