N,N-dimethyl-3-[(3-methylphenyl)methylimino]spiro[1,4-dihydroquinoxaline-2,4'-piperidine]-5-carboxamide

C23H29N5O — CID 145079350

IUPACN,N-dimethyl-3-[(3-methylphenyl)methylimino]spiro[1,4-dihydroquinoxaline-2,4'-piperidine]-5-carboxamide
SMILESCc1cccc(C/N=C2\Nc3c(cccc3C(=O)N(C)C)NC23CCNCC3)c1
InChIInChI=1S/C23H29N5O/c1-16-6-4-7-17(14-16)15-25-22-23(10-12-24-13-11-23)27-19-9-5-8-18(20(19)26-22)21(29)28(2)3/h4-9,14,24,27H,10-13,15H2,1-3H3,(H,25,26)
InChIKeyNTJJZYOZYRGRRO-UHFFFAOYSA-N
MW391.52 g/mol
LogP3.26
Rot. Bonds3

About N,N-dimethyl-3-[(3-methylphenyl)methylimino]spiro[1,4-dihydroquinoxaline-2,4'-piperidine]-5-carboxamide

N,N-dimethyl-3-[(3-methylphenyl)methylimino]spiro[1,4-dihydroquinoxaline-2,4'-piperidine]-5-carboxamide (PubChem CID 145079350) has the molecular formula C23H29N5O and a molecular weight of 391.52 g/mol. Its IUPAC name is N,N-dimethyl-3-[(3-methylphenyl)methylimino]spiro[1,4-dihydroquinoxaline-2,4'-piperidine]-5-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-3-[(3-methylphenyl)methylimino]spiro[1,4-dihydroquinoxaline-2,4'-piperidine]-5-carboxamide
PubChem CID145079350
Molecular FormulaC23H29N5O
Molecular Weight391.52 g/mol
Exact Mass391.24
IUPAC NameN,N-dimethyl-3-[(3-methylphenyl)methylimino]spiro[1,4-dihydroquinoxaline-2,4'-piperidine]-5-carboxamide
SMILESCc1cccc(C/N=C2\Nc3c(cccc3C(=O)N(C)C)NC23CCNCC3)c1
InChIInChI=1S/C23H29N5O/c1-16-6-4-7-17(14-16)15-25-22-23(10-12-24-13-11-23)27-19-9-5-8-18(20(19)26-22)21(29)28(2)3/h4-9,14,24,27H,10-13,15H2,1-3H3,(H,25,26)
InChIKeyNTJJZYOZYRGRRO-UHFFFAOYSA-N
XLogP3.26
TPSA68.76 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 53.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N,N-dimethyl-3-[(3-methylphenyl)methylimino]spiro[1,4-dihydroquinoxaline-2,4'-piperidine]-5-amine
CID 145079424
N-[3-[(3-methylphenyl)methylimino]spiro[1,4-dihydroquinoxaline-2,1'-cyclohexane]-5-yl]acetamide
CID 145079203
8-methoxy-N-[(3-methylphenyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-oxane]-2-imine
CID 145079359
N-benzyl-8-(trifluoromethyl)spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-imine
CID 137105325
N-[(3-chlorophenyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-azepane]-2-imine;ethane
CID 145079494
N-[3-[(3-methylphenyl)methylimino]spiro[1,4-dihydroquinoxaline-2,4'-oxane]-6-yl]acetamide
CID 145079335
7-fluoro-N-[(3-methylphenyl)methyl]spiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-2-imine
CID 145079242
6,7-dibromo-N-[(3-chlorophenyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-imine
CID 137105442
N-[(3-chlorophenyl)methyl]-6,7-dimethoxyspiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-imine
CID 137105266
N-[(3-chlorophenyl)methyl]-7-prop-1-enylspiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-imine
CID 137122971
7-methoxy-N-[(3-methylphenyl)methyl]spiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-2-imine
CID 145079251
7-bromo-N-[(3-chlorophenyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-imine
CID 137104906

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[(3-methylphenyl)methylimino]spiro[1,4-dihydroquinoxaline-2,4'-piperidine]-5-carboxamide?
The IUPAC name of N,N-dimethyl-3-[(3-methylphenyl)methylimino]spiro[1,4-dihydroquinoxaline-2,4'-piperidine]-5-carboxamide (CID 145079350) is N,N-dimethyl-3-[(3-methylphenyl)methylimino]spiro[1,4-dihydroquinoxaline-2,4'-piperidine]-5-carboxamide.
What is the SMILES notation for N,N-dimethyl-3-[(3-methylphenyl)methylimino]spiro[1,4-dihydroquinoxaline-2,4'-piperidine]-5-carboxamide?
The canonical SMILES for N,N-dimethyl-3-[(3-methylphenyl)methylimino]spiro[1,4-dihydroquinoxaline-2,4'-piperidine]-5-carboxamide is Cc1cccc(C/N=C2\Nc3c(cccc3C(=O)N(C)C)NC23CCNCC3)c1.
What is the InChIKey of N,N-dimethyl-3-[(3-methylphenyl)methylimino]spiro[1,4-dihydroquinoxaline-2,4'-piperidine]-5-carboxamide?
The InChIKey is NTJJZYOZYRGRRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O/c1-16-6-4-7-17(14-16)15-25-22-23(10-12-24-13-11-23)27-19-9-5-8-18(20(19)26-22)21(29)28(2)3/h4-9,14,24,27H,10-13,15H2,1-3H3,(H,25,26).
What are the key properties of N,N-dimethyl-3-[(3-methylphenyl)methylimino]spiro[1,4-dihydroquinoxaline-2,4'-piperidine]-5-carboxamide?
N,N-dimethyl-3-[(3-methylphenyl)methylimino]spiro[1,4-dihydroquinoxaline-2,4'-piperidine]-5-carboxamide has a molecular weight of 391.52 g/mol, XLogP of 3.26, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[(3-methylphenyl)methylimino]spiro[1,4-dihydroquinoxaline-2,4'-piperidine]-5-carboxamide is sourced from PubChem (CID 145079350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).