N-ethyl-2-(3-hydroxypiperidin-1-yl)-N-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]acetamide

C19H28N4O2 — CID 91783336

IUPACN-ethyl-2-(3-hydroxypiperidin-1-yl)-N-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]acetamide
SMILESCCN(CCc1nc2ccc(C)cc2[nH]1)C(=O)CN1CCCC(O)C1
InChIInChI=1S/C19H28N4O2/c1-3-23(19(25)13-22-9-4-5-15(24)12-22)10-8-18-20-16-7-6-14(2)11-17(16)21-18/h6-7,11,15,24H,3-5,8-10,12-13H2,1-2H3,(H,20,21)
InChIKeyPPVSQLNTVLOGTE-UHFFFAOYSA-N
MW344.46 g/mol
LogP1.72
Rot. Bonds6

About N-ethyl-2-(3-hydroxypiperidin-1-yl)-N-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]acetamide

N-ethyl-2-(3-hydroxypiperidin-1-yl)-N-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]acetamide (PubChem CID 91783336) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is N-ethyl-2-(3-hydroxypiperidin-1-yl)-N-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-ethyl-2-(3-hydroxypiperidin-1-yl)-N-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]acetamide
PubChem CID91783336
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC NameN-ethyl-2-(3-hydroxypiperidin-1-yl)-N-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]acetamide
SMILESCCN(CCc1nc2ccc(C)cc2[nH]1)C(=O)CN1CCCC(O)C1
InChIInChI=1S/C19H28N4O2/c1-3-23(19(25)13-22-9-4-5-15(24)12-22)10-8-18-20-16-7-6-14(2)11-17(16)21-18/h6-7,11,15,24H,3-5,8-10,12-13H2,1-2H3,(H,20,21)
InChIKeyPPVSQLNTVLOGTE-UHFFFAOYSA-N
XLogP1.72
TPSA72.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-hydroxypiperidin-1-yl)-N-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]acetamide
CID 118787936
2-(2,5-dioxoimidazolidin-1-yl)-N-ethyl-N-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]acetamide
CID 91766350
2-(2,4-dioxopyrimidin-1-yl)-N-ethyl-N-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]acetamide
CID 50970037
1-[2-(6-amino-1H-benzimidazol-2-yl)ethyl]piperidin-3-ol
CID 43575336
(2S)-2-amino-N-ethyl-N-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]-4-methylsulfanylbutanamide
CID 46995178
(3S)-N-ethyl-2-methyl-N-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 95872570
N-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]-2-(3-hydroxypiperidin-1-yl)acetamide
CID 86287334
(2S)-1-[(3R)-3-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]butan-2-ol
CID 99851245
1-ethyl-3-[[(3S)-1-ethylpyrrolidin-3-yl]methyl]-1-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]urea
CID 126431490
N-(2-cyanoethyl)-N-ethyl-2-(3-hydroxypiperidin-1-yl)acetamide
CID 110897527
N,N-dimethyl-2-(6-methyl-1H-benzimidazol-2-yl)ethanamine
CID 45040735
1-(azepan-1-yl)-3-(6-methyl-1H-benzimidazol-2-yl)propan-1-one
CID 6501370

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(3-hydroxypiperidin-1-yl)-N-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]acetamide?
The IUPAC name of N-ethyl-2-(3-hydroxypiperidin-1-yl)-N-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]acetamide (CID 91783336) is N-ethyl-2-(3-hydroxypiperidin-1-yl)-N-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]acetamide.
What is the SMILES notation for N-ethyl-2-(3-hydroxypiperidin-1-yl)-N-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]acetamide?
The canonical SMILES for N-ethyl-2-(3-hydroxypiperidin-1-yl)-N-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]acetamide is CCN(CCc1nc2ccc(C)cc2[nH]1)C(=O)CN1CCCC(O)C1.
What is the InChIKey of N-ethyl-2-(3-hydroxypiperidin-1-yl)-N-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]acetamide?
The InChIKey is PPVSQLNTVLOGTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2/c1-3-23(19(25)13-22-9-4-5-15(24)12-22)10-8-18-20-16-7-6-14(2)11-17(16)21-18/h6-7,11,15,24H,3-5,8-10,12-13H2,1-2H3,(H,20,21).
What are the key properties of N-ethyl-2-(3-hydroxypiperidin-1-yl)-N-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]acetamide?
N-ethyl-2-(3-hydroxypiperidin-1-yl)-N-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]acetamide has a molecular weight of 344.46 g/mol, XLogP of 1.72, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(3-hydroxypiperidin-1-yl)-N-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]acetamide is sourced from PubChem (CID 91783336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).