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

C17H24N4O2 — CID 118787936

IUPAC2-(3-hydroxypiperidin-1-yl)-N-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]acetamide
SMILESCc1ccc2nc(CCNC(=O)CN3CCCC(O)C3)[nH]c2c1
InChIInChI=1S/C17H24N4O2/c1-12-4-5-14-15(9-12)20-16(19-14)6-7-18-17(23)11-21-8-2-3-13(22)10-21/h4-5,9,13,22H,2-3,6-8,10-11H2,1H3,(H,18,23)(H,19,20)
InChIKeySLUJFDSMGVCNIN-UHFFFAOYSA-N
MW316.40 g/mol
LogP0.99
Rot. Bonds5

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

2-(3-hydroxypiperidin-1-yl)-N-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]acetamide (PubChem CID 118787936) has the molecular formula C17H24N4O2 and a molecular weight of 316.40 g/mol. Its IUPAC name is 2-(3-hydroxypiperidin-1-yl)-N-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(3-hydroxypiperidin-1-yl)-N-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]acetamide
PubChem CID118787936
Molecular FormulaC17H24N4O2
Molecular Weight316.40 g/mol
Exact Mass316.19
IUPAC Name2-(3-hydroxypiperidin-1-yl)-N-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]acetamide
SMILESCc1ccc2nc(CCNC(=O)CN3CCCC(O)C3)[nH]c2c1
InChIInChI=1S/C17H24N4O2/c1-12-4-5-14-15(9-12)20-16(19-14)6-7-18-17(23)11-21-8-2-3-13(22)10-21/h4-5,9,13,22H,2-3,6-8,10-11H2,1H3,(H,18,23)(H,19,20)
InChIKeySLUJFDSMGVCNIN-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

N-ethyl-2-(3-hydroxypiperidin-1-yl)-N-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]acetamide
CID 91783336
N-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]-2-(3-hydroxypiperidin-1-yl)acetamide
CID 86287334
1-[2-(6-amino-1H-benzimidazol-2-yl)ethyl]piperidin-3-ol
CID 43575336
4-cyclopentyl-N-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]-3-oxopiperazine-1-carboxamide
CID 122564123
2-(3-hydroxypiperidin-1-yl)-N-[3-(1H-imidazol-2-yl)propyl]acetamide
CID 91777804
N-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]cyclopentanamine
CID 82336914
2-[3-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-N-piperidin-4-ylacetamide
CID 167767525
2-(4-hydroxypiperidin-1-yl)-N-[2-(4-methyl-1H-benzimidazol-2-yl)ethyl]acetamide
CID 118796145
N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-3-(1-methylpiperidin-3-yl)propanamide
CID 72904285
N-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]cyclooctanamine
CID 82336932
2-[(3S)-3-hydroxypiperidin-1-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 51924548
2-[(3R)-3-hydroxypiperidin-1-yl]-N-(3-methylphenyl)acetamide
CID 129367068

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxypiperidin-1-yl)-N-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]acetamide?
The IUPAC name of 2-(3-hydroxypiperidin-1-yl)-N-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]acetamide (CID 118787936) is 2-(3-hydroxypiperidin-1-yl)-N-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]acetamide.
What is the SMILES notation for 2-(3-hydroxypiperidin-1-yl)-N-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]acetamide?
The canonical SMILES for 2-(3-hydroxypiperidin-1-yl)-N-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]acetamide is Cc1ccc2nc(CCNC(=O)CN3CCCC(O)C3)[nH]c2c1.
What is the InChIKey of 2-(3-hydroxypiperidin-1-yl)-N-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]acetamide?
The InChIKey is SLUJFDSMGVCNIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-12-4-5-14-15(9-12)20-16(19-14)6-7-18-17(23)11-21-8-2-3-13(22)10-21/h4-5,9,13,22H,2-3,6-8,10-11H2,1H3,(H,18,23)(H,19,20).
What are the key properties of 2-(3-hydroxypiperidin-1-yl)-N-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]acetamide?
2-(3-hydroxypiperidin-1-yl)-N-[2-(6-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-(3-hydroxypiperidin-1-yl)-N-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]acetamide is sourced from PubChem (CID 118787936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).