2-(4-hydroxypiperidin-1-yl)-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]acetamide

C18H26N4O2 — CID 77094843

IUPAC2-(4-hydroxypiperidin-1-yl)-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]acetamide
SMILESCC(C)n1c(CNC(=O)CN2CCC(O)CC2)nc2ccccc21
InChIInChI=1S/C18H26N4O2/c1-13(2)22-16-6-4-3-5-15(16)20-17(22)11-19-18(24)12-21-9-7-14(23)8-10-21/h3-6,13-14,23H,7-12H2,1-2H3,(H,19,24)
InChIKeyAIRGAGKBSAQHGK-UHFFFAOYSA-N
MW330.43 g/mol
LogP1.69
Rot. Bonds5

About 2-(4-hydroxypiperidin-1-yl)-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]acetamide

2-(4-hydroxypiperidin-1-yl)-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]acetamide (PubChem CID 77094843) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is 2-(4-hydroxypiperidin-1-yl)-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-hydroxypiperidin-1-yl)-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]acetamide
PubChem CID77094843
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC Name2-(4-hydroxypiperidin-1-yl)-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]acetamide
SMILESCC(C)n1c(CNC(=O)CN2CCC(O)CC2)nc2ccccc21
InChIInChI=1S/C18H26N4O2/c1-13(2)22-16-6-4-3-5-15(16)20-17(22)11-19-18(24)12-21-9-7-14(23)8-10-21/h3-6,13-14,23H,7-12H2,1-2H3,(H,19,24)
InChIKeyAIRGAGKBSAQHGK-UHFFFAOYSA-N
XLogP1.69
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]acetamide
CID 751074
3-(hydroxymethyl)-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]pyrrolidine-1-carboxamide
CID 131946837
2-(oxan-3-yl)-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]acetamide
CID 139007416
2-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]acetamide
CID 99979307
N,N-di(propan-2-yl)-1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]piperidine-4-carboxamide
CID 124821668
2-amino-2-(oxan-4-yl)-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]acetamide;dihydrochloride
CID 120800815
3-(2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl)-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]propanamide
CID 75356814
(1S,5R)-3-[(1-propan-2-ylbenzimidazol-2-yl)methyl]-3-azabicyclo[3.1.0]hexane-6-carboxylic acid
CID 122559237
2-morpholin-4-yl-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]benzamide
CID 86285259
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]acetamide
CID 77089289
(3S)-N-methyl-1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]piperidine-3-carboxamide
CID 124822913
1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]-N,N-dipropylpiperidine-4-carboxamide
CID 124808590

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxypiperidin-1-yl)-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]acetamide?
The IUPAC name of 2-(4-hydroxypiperidin-1-yl)-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]acetamide (CID 77094843) is 2-(4-hydroxypiperidin-1-yl)-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]acetamide.
What is the SMILES notation for 2-(4-hydroxypiperidin-1-yl)-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]acetamide?
The canonical SMILES for 2-(4-hydroxypiperidin-1-yl)-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]acetamide is CC(C)n1c(CNC(=O)CN2CCC(O)CC2)nc2ccccc21.
What is the InChIKey of 2-(4-hydroxypiperidin-1-yl)-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]acetamide?
The InChIKey is AIRGAGKBSAQHGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2/c1-13(2)22-16-6-4-3-5-15(16)20-17(22)11-19-18(24)12-21-9-7-14(23)8-10-21/h3-6,13-14,23H,7-12H2,1-2H3,(H,19,24).
What are the key properties of 2-(4-hydroxypiperidin-1-yl)-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]acetamide?
2-(4-hydroxypiperidin-1-yl)-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]acetamide has a molecular weight of 330.43 g/mol, XLogP of 1.69, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxypiperidin-1-yl)-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]acetamide is sourced from PubChem (CID 77094843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).