3H-benzimidazol-5-yl-[4-[(6-methyl-2-pyridinyl)amino]piperidin-1-yl]methanone

C19H21N5O — CID 56795021

IUPAC3H-benzimidazol-5-yl-[4-[(6-methyl-2-pyridinyl)amino]piperidin-1-yl]methanone
SMILESCc1cccc(NC2CCN(C(=O)c3ccc4nc[nH]c4c3)CC2)n1
InChIInChI=1S/C19H21N5O/c1-13-3-2-4-18(22-13)23-15-7-9-24(10-8-15)19(25)14-5-6-16-17(11-14)21-12-20-16/h2-6,11-12,15H,7-10H2,1H3,(H,20,21)(H,22,23)
InChIKeyFCHPUAMMNICSGC-UHFFFAOYSA-N
MW335.41 g/mol
LogP2.98
Rot. Bonds3

About 3H-benzimidazol-5-yl-[4-[(6-methyl-2-pyridinyl)amino]piperidin-1-yl]methanone

3H-benzimidazol-5-yl-[4-[(6-methyl-2-pyridinyl)amino]piperidin-1-yl]methanone (PubChem CID 56795021) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is 3H-benzimidazol-5-yl-[4-[(6-methyl-2-pyridinyl)amino]piperidin-1-yl]methanone.

Molecular Properties

Compound Name3H-benzimidazol-5-yl-[4-[(6-methyl-2-pyridinyl)amino]piperidin-1-yl]methanone
PubChem CID56795021
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC Name3H-benzimidazol-5-yl-[4-[(6-methyl-2-pyridinyl)amino]piperidin-1-yl]methanone
SMILESCc1cccc(NC2CCN(C(=O)c3ccc4nc[nH]c4c3)CC2)n1
InChIInChI=1S/C19H21N5O/c1-13-3-2-4-18(22-13)23-15-7-9-24(10-8-15)19(25)14-5-6-16-17(11-14)21-12-20-16/h2-6,11-12,15H,7-10H2,1H3,(H,20,21)(H,22,23)
InChIKeyFCHPUAMMNICSGC-UHFFFAOYSA-N
XLogP2.98
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(3-methylbenzoyl)piperidin-4-yl]-3H-benzimidazole-5-carboxamide
CID 108554529
3H-benzimidazol-5-yl-[4-[[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]methanone
CID 126888383
N-[1-(3H-benzimidazole-5-carbonyl)piperidin-4-yl]-2-methylbenzamide
CID 108557671
3H-benzimidazol-5-yl-(4-methylpiperazin-1-yl)methanone
CID 18847527
N-[1-(3H-benzimidazole-5-carbonyl)piperidin-4-yl]cyclopentanecarboxamide
CID 110821508
N-[1-(3H-benzimidazole-5-carbonyl)piperidin-4-yl]-3,3-dimethylbutanamide
CID 110821514
3H-benzimidazol-5-yl-(4-methylsulfonylpiperidin-1-yl)methanone
CID 90586479
3H-benzimidazol-5-yl-[(3S)-3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]methanone
CID 124968805
N-[1-(4-methoxybenzoyl)piperidin-4-yl]-3H-benzimidazole-5-carboxamide
CID 108554460
N-[1-(3H-benzimidazole-5-carbonyl)piperidin-4-yl]-3-(4-methylphenyl)propanamide
CID 108556405
N-[1-(3,4-dichlorobenzoyl)piperidin-4-yl]-3H-benzimidazole-5-carboxamide
CID 108554461
1-[4-(3H-benzimidazole-5-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 60712264

Frequently Asked Questions

What is the IUPAC name of 3H-benzimidazol-5-yl-[4-[(6-methyl-2-pyridinyl)amino]piperidin-1-yl]methanone?
The IUPAC name of 3H-benzimidazol-5-yl-[4-[(6-methyl-2-pyridinyl)amino]piperidin-1-yl]methanone (CID 56795021) is 3H-benzimidazol-5-yl-[4-[(6-methyl-2-pyridinyl)amino]piperidin-1-yl]methanone.
What is the SMILES notation for 3H-benzimidazol-5-yl-[4-[(6-methyl-2-pyridinyl)amino]piperidin-1-yl]methanone?
The canonical SMILES for 3H-benzimidazol-5-yl-[4-[(6-methyl-2-pyridinyl)amino]piperidin-1-yl]methanone is Cc1cccc(NC2CCN(C(=O)c3ccc4nc[nH]c4c3)CC2)n1.
What is the InChIKey of 3H-benzimidazol-5-yl-[4-[(6-methyl-2-pyridinyl)amino]piperidin-1-yl]methanone?
The InChIKey is FCHPUAMMNICSGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O/c1-13-3-2-4-18(22-13)23-15-7-9-24(10-8-15)19(25)14-5-6-16-17(11-14)21-12-20-16/h2-6,11-12,15H,7-10H2,1H3,(H,20,21)(H,22,23).
What are the key properties of 3H-benzimidazol-5-yl-[4-[(6-methyl-2-pyridinyl)amino]piperidin-1-yl]methanone?
3H-benzimidazol-5-yl-[4-[(6-methyl-2-pyridinyl)amino]piperidin-1-yl]methanone has a molecular weight of 335.41 g/mol, XLogP of 2.98, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3H-benzimidazol-5-yl-[4-[(6-methyl-2-pyridinyl)amino]piperidin-1-yl]methanone is sourced from PubChem (CID 56795021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).