3-(1H-benzimidazol-2-yl)-N-[6-(2-methoxyethoxy)-3-pyridinyl]piperidine-1-carboxamide

C21H25N5O3 — CID 47041579

IUPAC3-(1H-benzimidazol-2-yl)-N-[6-(2-methoxyethoxy)-3-pyridinyl]piperidine-1-carboxamide
SMILESCOCCOc1ccc(NC(=O)N2CCCC(c3nc4ccccc4[nH]3)C2)cn1
InChIInChI=1S/C21H25N5O3/c1-28-11-12-29-19-9-8-16(13-22-19)23-21(27)26-10-4-5-15(14-26)20-24-17-6-2-3-7-18(17)25-20/h2-3,6-9,13,15H,4-5,10-12,14H2,1H3,(H,23,27)(H,24,25)
InChIKeyYHIVBXXGWAQYIW-UHFFFAOYSA-N
MW395.46 g/mol
LogP3.39
Rot. Bonds6

About 3-(1H-benzimidazol-2-yl)-N-[6-(2-methoxyethoxy)-3-pyridinyl]piperidine-1-carboxamide

3-(1H-benzimidazol-2-yl)-N-[6-(2-methoxyethoxy)-3-pyridinyl]piperidine-1-carboxamide (PubChem CID 47041579) has the molecular formula C21H25N5O3 and a molecular weight of 395.46 g/mol. Its IUPAC name is 3-(1H-benzimidazol-2-yl)-N-[6-(2-methoxyethoxy)-3-pyridinyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name3-(1H-benzimidazol-2-yl)-N-[6-(2-methoxyethoxy)-3-pyridinyl]piperidine-1-carboxamide
PubChem CID47041579
Molecular FormulaC21H25N5O3
Molecular Weight395.46 g/mol
Exact Mass395.20
IUPAC Name3-(1H-benzimidazol-2-yl)-N-[6-(2-methoxyethoxy)-3-pyridinyl]piperidine-1-carboxamide
SMILESCOCCOc1ccc(NC(=O)N2CCCC(c3nc4ccccc4[nH]3)C2)cn1
InChIInChI=1S/C21H25N5O3/c1-28-11-12-29-19-9-8-16(13-22-19)23-21(27)26-10-4-5-15(14-26)20-24-17-6-2-3-7-18(17)25-20/h2-3,6-9,13,15H,4-5,10-12,14H2,1H3,(H,23,27)(H,24,25)
InChIKeyYHIVBXXGWAQYIW-UHFFFAOYSA-N
XLogP3.39
TPSA92.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-(1H-benzimidazol-2-yl)piperidine-1-carboxylate
CID 110404102
1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-methoxyethanone
CID 47140725
3-(1H-benzimidazol-2-yl)-N-(3-methylphenyl)piperidine-1-carboxamide
CID 44754575
3-(1H-benzimidazol-2-yl)-N-(4-butoxyphenyl)azetidine-1-carboxamide
CID 90505848
methyl N-[2-[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]carbamate
CID 94179831
1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]propan-1-one
CID 51327259
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2,6-dimethoxyphenyl)methanone
CID 110404095
1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-(2-fluorophenoxy)propan-1-one
CID 56807357
3-(1H-benzimidazol-2-yl)-N-benzylpiperidine-1-carboxamide
CID 42934572
3-(1H-benzimidazol-2-yl)-N-(2-pyrrolidin-1-ylphenyl)piperidine-1-carboxamide
CID 55696056
3-(1H-benzimidazol-2-yl)-N-(3-methoxyphenyl)azetidine-1-carboxamide
CID 90505815
[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 51477839

Frequently Asked Questions

What is the IUPAC name of 3-(1H-benzimidazol-2-yl)-N-[6-(2-methoxyethoxy)-3-pyridinyl]piperidine-1-carboxamide?
The IUPAC name of 3-(1H-benzimidazol-2-yl)-N-[6-(2-methoxyethoxy)-3-pyridinyl]piperidine-1-carboxamide (CID 47041579) is 3-(1H-benzimidazol-2-yl)-N-[6-(2-methoxyethoxy)-3-pyridinyl]piperidine-1-carboxamide.
What is the SMILES notation for 3-(1H-benzimidazol-2-yl)-N-[6-(2-methoxyethoxy)-3-pyridinyl]piperidine-1-carboxamide?
The canonical SMILES for 3-(1H-benzimidazol-2-yl)-N-[6-(2-methoxyethoxy)-3-pyridinyl]piperidine-1-carboxamide is COCCOc1ccc(NC(=O)N2CCCC(c3nc4ccccc4[nH]3)C2)cn1.
What is the InChIKey of 3-(1H-benzimidazol-2-yl)-N-[6-(2-methoxyethoxy)-3-pyridinyl]piperidine-1-carboxamide?
The InChIKey is YHIVBXXGWAQYIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O3/c1-28-11-12-29-19-9-8-16(13-22-19)23-21(27)26-10-4-5-15(14-26)20-24-17-6-2-3-7-18(17)25-20/h2-3,6-9,13,15H,4-5,10-12,14H2,1H3,(H,23,27)(H,24,25).
What are the key properties of 3-(1H-benzimidazol-2-yl)-N-[6-(2-methoxyethoxy)-3-pyridinyl]piperidine-1-carboxamide?
3-(1H-benzimidazol-2-yl)-N-[6-(2-methoxyethoxy)-3-pyridinyl]piperidine-1-carboxamide has a molecular weight of 395.46 g/mol, XLogP of 3.39, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-benzimidazol-2-yl)-N-[6-(2-methoxyethoxy)-3-pyridinyl]piperidine-1-carboxamide is sourced from PubChem (CID 47041579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).