1-methyl-N-[1-[(1R)-1-pyridin-4-ylethyl]piperidin-4-yl]benzimidazole-5-carboxamide

C21H25N5O — CID 99696199

IUPAC1-methyl-N-[1-[(1R)-1-pyridin-4-ylethyl]piperidin-4-yl]benzimidazole-5-carboxamide
SMILESC[C@H](c1ccncc1)N1CCC(NC(=O)c2ccc3c(c2)ncn3C)CC1
InChIInChI=1S/C21H25N5O/c1-15(16-5-9-22-10-6-16)26-11-7-18(8-12-26)24-21(27)17-3-4-20-19(13-17)23-14-25(20)2/h3-6,9-10,13-15,18H,7-8,11-12H2,1-2H3,(H,24,27)/t15-/m1/s1
InChIKeyNYAPTMQEOIVGPJ-OAHLLOKOSA-N
MW363.47 g/mol
LogP2.92
Rot. Bonds4

About 1-methyl-N-[1-[(1R)-1-pyridin-4-ylethyl]piperidin-4-yl]benzimidazole-5-carboxamide

1-methyl-N-[1-[(1R)-1-pyridin-4-ylethyl]piperidin-4-yl]benzimidazole-5-carboxamide (PubChem CID 99696199) has the molecular formula C21H25N5O and a molecular weight of 363.47 g/mol. Its IUPAC name is 1-methyl-N-[1-[(1R)-1-pyridin-4-ylethyl]piperidin-4-yl]benzimidazole-5-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[1-[(1R)-1-pyridin-4-ylethyl]piperidin-4-yl]benzimidazole-5-carboxamide
PubChem CID99696199
Molecular FormulaC21H25N5O
Molecular Weight363.47 g/mol
Exact Mass363.21
IUPAC Name1-methyl-N-[1-[(1R)-1-pyridin-4-ylethyl]piperidin-4-yl]benzimidazole-5-carboxamide
SMILESC[C@H](c1ccncc1)N1CCC(NC(=O)c2ccc3c(c2)ncn3C)CC1
InChIInChI=1S/C21H25N5O/c1-15(16-5-9-22-10-6-16)26-11-7-18(8-12-26)24-21(27)17-3-4-20-19(13-17)23-14-25(20)2/h3-6,9-10,13-15,18H,7-8,11-12H2,1-2H3,(H,24,27)/t15-/m1/s1
InChIKeyNYAPTMQEOIVGPJ-OAHLLOKOSA-N
XLogP2.92
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.47
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-methyl-N-[1-[(1R)-1-pyridin-4-ylethyl]piperidin-4-yl]benzimidazole-5-carboxamide with MolForge

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Related Compounds

N-cyclopropyl-1-methylbenzimidazole-5-carboxamide
CID 95967858
N-cyclopentyl-1-methylbenzimidazole-5-carboxamide
CID 90980622
3-methyl-N-[1-[(1S)-1-pyridin-4-ylethyl]piperidin-4-yl]triazolo[4,5-b]pyridine-6-carboxamide
CID 124616754
N-[1-[(1S)-1-pyridin-4-ylethyl]piperidin-4-yl]-1H-indole-5-carboxamide
CID 124591554
N-cyclopropyl-3-methylbenzimidazole-5-carboxamide
CID 110469101
N-[1-[(1S)-1-pyridin-4-ylethyl]piperidin-4-yl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 99700655
N-[1-(1-pyridin-4-ylethyl)piperidin-4-yl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 126795988
1-methyl-N-(4-piperazin-1-ylcyclohexyl)benzimidazole-5-carboxamide
CID 128877935
2,5-dimethyl-N-[1-[(1S)-1-pyridin-4-ylethyl]piperidin-4-yl]benzamide
CID 124591552
3-propan-2-yl-N-[1-[(1S)-1-pyridin-4-ylethyl]piperidin-4-yl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
CID 99701439
N-(1-propan-2-ylpiperidin-4-yl)pyridine-4-carboxamide
CID 25236647
N-[(3R)-2,2-dimethyl-1-azabicyclo[2.2.1]heptan-3-yl]-1-methylbenzimidazole-5-carboxamide
CID 139541555

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[1-[(1R)-1-pyridin-4-ylethyl]piperidin-4-yl]benzimidazole-5-carboxamide?
The IUPAC name of 1-methyl-N-[1-[(1R)-1-pyridin-4-ylethyl]piperidin-4-yl]benzimidazole-5-carboxamide (CID 99696199) is 1-methyl-N-[1-[(1R)-1-pyridin-4-ylethyl]piperidin-4-yl]benzimidazole-5-carboxamide.
What is the SMILES notation for 1-methyl-N-[1-[(1R)-1-pyridin-4-ylethyl]piperidin-4-yl]benzimidazole-5-carboxamide?
The canonical SMILES for 1-methyl-N-[1-[(1R)-1-pyridin-4-ylethyl]piperidin-4-yl]benzimidazole-5-carboxamide is C[C@H](c1ccncc1)N1CCC(NC(=O)c2ccc3c(c2)ncn3C)CC1.
What is the InChIKey of 1-methyl-N-[1-[(1R)-1-pyridin-4-ylethyl]piperidin-4-yl]benzimidazole-5-carboxamide?
The InChIKey is NYAPTMQEOIVGPJ-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H25N5O/c1-15(16-5-9-22-10-6-16)26-11-7-18(8-12-26)24-21(27)17-3-4-20-19(13-17)23-14-25(20)2/h3-6,9-10,13-15,18H,7-8,11-12H2,1-2H3,(H,24,27)/t15-/m1/s1.
What are the key properties of 1-methyl-N-[1-[(1R)-1-pyridin-4-ylethyl]piperidin-4-yl]benzimidazole-5-carboxamide?
1-methyl-N-[1-[(1R)-1-pyridin-4-ylethyl]piperidin-4-yl]benzimidazole-5-carboxamide has a molecular weight of 363.47 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[1-[(1R)-1-pyridin-4-ylethyl]piperidin-4-yl]benzimidazole-5-carboxamide is sourced from PubChem (CID 99696199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).