1-[4-cyano-2-methyl-3-(oxan-4-yl)pyrido[1,2-a]benzimidazol-1-yl]piperidine-4-carboxamide;hydrochloride

C24H28ClN5O2 — CID 158631686

IUPAC1-[4-cyano-2-methyl-3-(oxan-4-yl)pyrido[1,2-a]benzimidazol-1-yl]piperidine-4-carboxamide;hydrochloride
SMILESCc1c(C2CCOCC2)c(C#N)c2nc3ccccc3n2c1N1CCC(C(N)=O)CC1.Cl
InChIInChI=1S/C24H27N5O2.ClH/c1-15-21(16-8-12-31-13-9-16)18(14-25)23-27-19-4-2-3-5-20(19)29(23)24(15)28-10-6-17(7-11-28)22(26)30;/h2-5,16-17H,6-13H2,1H3,(H2,26,30);1H
InChIKeyHENJDNZWXMXJSU-UHFFFAOYSA-N
MW453.97 g/mol
LogP3.69
Rot. Bonds3

About 1-[4-cyano-2-methyl-3-(oxan-4-yl)pyrido[1,2-a]benzimidazol-1-yl]piperidine-4-carboxamide;hydrochloride

1-[4-cyano-2-methyl-3-(oxan-4-yl)pyrido[1,2-a]benzimidazol-1-yl]piperidine-4-carboxamide;hydrochloride (PubChem CID 158631686) has the molecular formula C24H28ClN5O2 and a molecular weight of 453.97 g/mol. Its IUPAC name is 1-[4-cyano-2-methyl-3-(oxan-4-yl)pyrido[1,2-a]benzimidazol-1-yl]piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-[4-cyano-2-methyl-3-(oxan-4-yl)pyrido[1,2-a]benzimidazol-1-yl]piperidine-4-carboxamide;hydrochloride
PubChem CID158631686
Molecular FormulaC24H28ClN5O2
Molecular Weight453.97 g/mol
Exact Mass453.19
IUPAC Name1-[4-cyano-2-methyl-3-(oxan-4-yl)pyrido[1,2-a]benzimidazol-1-yl]piperidine-4-carboxamide;hydrochloride
SMILESCc1c(C2CCOCC2)c(C#N)c2nc3ccccc3n2c1N1CCC(C(N)=O)CC1.Cl
InChIInChI=1S/C24H27N5O2.ClH/c1-15-21(16-8-12-31-13-9-16)18(14-25)23-27-19-4-2-3-5-20(19)29(23)24(15)28-10-6-17(7-11-28)22(26)30;/h2-5,16-17H,6-13H2,1H3,(H2,26,30);1H
InChIKeyHENJDNZWXMXJSU-UHFFFAOYSA-N
XLogP3.69
TPSA96.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.97
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[4-cyano-2-methyl-3-(oxan-4-yl)pyrido[1,2-a]benzimidazol-1-yl]piperidine-4-carboxamide;hydrochloride with MolForge

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Related Compounds

1-[4-cyano-2-methyl-3-(oxolan-3-yl)pyrido[1,2-a]benzimidazol-1-yl]piperidine-4-carboxamide
CID 71275008
1-(4-cyano-2-methyl-3-piperidin-4-ylpyrido[1,2-a]benzimidazol-1-yl)piperidine-4-carboxamide
CID 71274989
ethyl 1-[4-cyano-2-methyl-3-(oxan-4-yl)pyrido[1,2-a]benzimidazol-1-yl]azepane-4-carboxylate;hydrochloride
CID 162338755
1-(4-cyanopiperidin-1-yl)-2-methyl-3-(thian-4-yl)pyrido[1,2-a]benzimidazole-4-carbonitrile
CID 71275043
2-methyl-1,3-dimorpholin-4-ylpyrido[1,2-a]benzimidazole-4-carbonitrile;hydrochloride
CID 162159213
2-ethyl-1-[4-(hydroxymethyl)-4-methylpiperidin-1-yl]-3-(oxan-4-yl)pyrido[1,2-a]benzimidazole-4-carbonitrile;hydrochloride
CID 162333710
3-(azetidin-3-yl)-1-(4-cyanopiperidin-1-yl)-2-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
CID 71275135
ethyl 1-(4-cyano-2-ethyl-3-methylpyrido[1,2-a]benzimidazol-1-yl)piperidine-4-carboxylate
CID 3747471
2-benzyl-1-(4-fluoropiperidin-1-yl)-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile;hydrochloride
CID 162318362
1-(4-cyano-3-methylpyrido[1,2-a]benzimidazol-1-yl)-N-methylpiperidine-4-carboxamide
CID 24632833
2-acetyl-12-morpholin-4-yl-3,4-dihydro-1H-benzimidazolo[1,2-b][2,7]naphthyridine-5-carbonitrile;hydrochloride
CID 162305284
16-(1,4-oxazepan-4-yl)-1,8-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,8,10,15-hexaene-10-carbonitrile;hydrochloride
CID 161422594

Frequently Asked Questions

What is the IUPAC name of 1-[4-cyano-2-methyl-3-(oxan-4-yl)pyrido[1,2-a]benzimidazol-1-yl]piperidine-4-carboxamide;hydrochloride?
The IUPAC name of 1-[4-cyano-2-methyl-3-(oxan-4-yl)pyrido[1,2-a]benzimidazol-1-yl]piperidine-4-carboxamide;hydrochloride (CID 158631686) is 1-[4-cyano-2-methyl-3-(oxan-4-yl)pyrido[1,2-a]benzimidazol-1-yl]piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for 1-[4-cyano-2-methyl-3-(oxan-4-yl)pyrido[1,2-a]benzimidazol-1-yl]piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for 1-[4-cyano-2-methyl-3-(oxan-4-yl)pyrido[1,2-a]benzimidazol-1-yl]piperidine-4-carboxamide;hydrochloride is Cc1c(C2CCOCC2)c(C#N)c2nc3ccccc3n2c1N1CCC(C(N)=O)CC1.Cl.
What is the InChIKey of 1-[4-cyano-2-methyl-3-(oxan-4-yl)pyrido[1,2-a]benzimidazol-1-yl]piperidine-4-carboxamide;hydrochloride?
The InChIKey is HENJDNZWXMXJSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O2.ClH/c1-15-21(16-8-12-31-13-9-16)18(14-25)23-27-19-4-2-3-5-20(19)29(23)24(15)28-10-6-17(7-11-28)22(26)30;/h2-5,16-17H,6-13H2,1H3,(H2,26,30);1H.
What are the key properties of 1-[4-cyano-2-methyl-3-(oxan-4-yl)pyrido[1,2-a]benzimidazol-1-yl]piperidine-4-carboxamide;hydrochloride?
1-[4-cyano-2-methyl-3-(oxan-4-yl)pyrido[1,2-a]benzimidazol-1-yl]piperidine-4-carboxamide;hydrochloride has a molecular weight of 453.97 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-cyano-2-methyl-3-(oxan-4-yl)pyrido[1,2-a]benzimidazol-1-yl]piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 158631686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).