2-(4-hydroxypiperidin-1-yl)-N-[2-(4-methyl-1H-benzimidazol-2-yl)ethyl]acetamide

C17H24N4O2 — CID 118796145

IUPAC2-(4-hydroxypiperidin-1-yl)-N-[2-(4-methyl-1H-benzimidazol-2-yl)ethyl]acetamide
SMILESCc1cccc2[nH]c(CCNC(=O)CN3CCC(O)CC3)nc12
InChIInChI=1S/C17H24N4O2/c1-12-3-2-4-14-17(12)20-15(19-14)5-8-18-16(23)11-21-9-6-13(22)7-10-21/h2-4,13,22H,5-11H2,1H3,(H,18,23)(H,19,20)
InChIKeyFNEDOJFMEFIGHE-UHFFFAOYSA-N
MW316.40 g/mol
LogP0.99
Rot. Bonds5

About 2-(4-hydroxypiperidin-1-yl)-N-[2-(4-methyl-1H-benzimidazol-2-yl)ethyl]acetamide

2-(4-hydroxypiperidin-1-yl)-N-[2-(4-methyl-1H-benzimidazol-2-yl)ethyl]acetamide (PubChem CID 118796145) has the molecular formula C17H24N4O2 and a molecular weight of 316.40 g/mol. Its IUPAC name is 2-(4-hydroxypiperidin-1-yl)-N-[2-(4-methyl-1H-benzimidazol-2-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-hydroxypiperidin-1-yl)-N-[2-(4-methyl-1H-benzimidazol-2-yl)ethyl]acetamide
PubChem CID118796145
Molecular FormulaC17H24N4O2
Molecular Weight316.40 g/mol
Exact Mass316.19
IUPAC Name2-(4-hydroxypiperidin-1-yl)-N-[2-(4-methyl-1H-benzimidazol-2-yl)ethyl]acetamide
SMILESCc1cccc2[nH]c(CCNC(=O)CN3CCC(O)CC3)nc12
InChIInChI=1S/C17H24N4O2/c1-12-3-2-4-14-17(12)20-15(19-14)5-8-18-16(23)11-21-9-6-13(22)7-10-21/h2-4,13,22H,5-11H2,1H3,(H,18,23)(H,19,20)
InChIKeyFNEDOJFMEFIGHE-UHFFFAOYSA-N
XLogP0.99
TPSA81.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 50.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(1S,5R)-3-cyclopentyl-N-[2-(4-methyl-1H-benzimidazol-2-yl)ethyl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
CID 56912067
2-cyclopentyl-N-[2-(4-methyl-1H-benzimidazol-2-yl)ethyl]-2-phenylacetamide
CID 77086079
1-methyl-1-[2-(4-methyl-1H-benzimidazol-2-yl)ethyl]-3-(2-pyrrolidin-1-ylethyl)urea
CID 119059522
(4S)-4-(furan-3-yl)-6-methyl-N-[2-(4-methyl-1H-benzimidazol-2-yl)ethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 95205110
(2S)-2-(2-hydroxyethyl)-N-[2-(4-methyl-1H-benzimidazol-2-yl)ethyl]-3-oxopiperazine-1-carboxamide
CID 126439930
N-methyl-2-(4-methyl-1H-benzimidazol-2-yl)ethanamine
CID 26722492
N-[2-(4-aminophenyl)ethyl]-3-(4-methyl-1H-benzimidazol-2-yl)propanamide;dihydrochloride
CID 119548614
2-(3-hydroxypiperidin-1-yl)-N-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]acetamide
CID 118787936
N-(3-aminobutyl)-3-(4-methyl-1H-benzimidazol-2-yl)propanamide
CID 119497235
3-(4-methyl-1H-benzimidazol-2-yl)-1-(2-methylpyrrolidin-1-yl)propan-1-one
CID 166227033
2-[(2R)-1-[(2,3-difluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-[2-(4-methyl-1H-benzimidazol-2-yl)ethyl]acetamide
CID 26402073
N-[2-(2,3-dichlorophenyl)ethyl]-2-(4-hydroxypiperidin-1-yl)acetamide
CID 60501101

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxypiperidin-1-yl)-N-[2-(4-methyl-1H-benzimidazol-2-yl)ethyl]acetamide?
The IUPAC name of 2-(4-hydroxypiperidin-1-yl)-N-[2-(4-methyl-1H-benzimidazol-2-yl)ethyl]acetamide (CID 118796145) is 2-(4-hydroxypiperidin-1-yl)-N-[2-(4-methyl-1H-benzimidazol-2-yl)ethyl]acetamide.
What is the SMILES notation for 2-(4-hydroxypiperidin-1-yl)-N-[2-(4-methyl-1H-benzimidazol-2-yl)ethyl]acetamide?
The canonical SMILES for 2-(4-hydroxypiperidin-1-yl)-N-[2-(4-methyl-1H-benzimidazol-2-yl)ethyl]acetamide is Cc1cccc2[nH]c(CCNC(=O)CN3CCC(O)CC3)nc12.
What is the InChIKey of 2-(4-hydroxypiperidin-1-yl)-N-[2-(4-methyl-1H-benzimidazol-2-yl)ethyl]acetamide?
The InChIKey is FNEDOJFMEFIGHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-12-3-2-4-14-17(12)20-15(19-14)5-8-18-16(23)11-21-9-6-13(22)7-10-21/h2-4,13,22H,5-11H2,1H3,(H,18,23)(H,19,20).
What are the key properties of 2-(4-hydroxypiperidin-1-yl)-N-[2-(4-methyl-1H-benzimidazol-2-yl)ethyl]acetamide?
2-(4-hydroxypiperidin-1-yl)-N-[2-(4-methyl-1H-benzimidazol-2-yl)ethyl]acetamide has a molecular weight of 316.40 g/mol, XLogP of 0.99, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxypiperidin-1-yl)-N-[2-(4-methyl-1H-benzimidazol-2-yl)ethyl]acetamide is sourced from PubChem (CID 118796145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).