2-[(2S)-1-acetylpiperidin-2-yl]-N-[3-(benzimidazol-1-yl)propyl]acetamide

C19H26N4O2 — CID 95158429

IUPAC2-[(2S)-1-acetylpiperidin-2-yl]-N-[3-(benzimidazol-1-yl)propyl]acetamide
SMILESCC(=O)N1CCCC[C@H]1CC(=O)NCCCn1cnc2ccccc21
InChIInChI=1S/C19H26N4O2/c1-15(24)23-12-5-4-7-16(23)13-19(25)20-10-6-11-22-14-21-17-8-2-3-9-18(17)22/h2-3,8-9,14,16H,4-7,10-13H2,1H3,(H,20,25)/t16-/m0/s1
InChIKeyPEGXZLSBGZRLCR-INIZCTEOSA-N
MW342.44 g/mol
LogP2.33
Rot. Bonds6

About 2-[(2S)-1-acetylpiperidin-2-yl]-N-[3-(benzimidazol-1-yl)propyl]acetamide

2-[(2S)-1-acetylpiperidin-2-yl]-N-[3-(benzimidazol-1-yl)propyl]acetamide (PubChem CID 95158429) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 2-[(2S)-1-acetylpiperidin-2-yl]-N-[3-(benzimidazol-1-yl)propyl]acetamide.

Molecular Properties

Compound Name2-[(2S)-1-acetylpiperidin-2-yl]-N-[3-(benzimidazol-1-yl)propyl]acetamide
PubChem CID95158429
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name2-[(2S)-1-acetylpiperidin-2-yl]-N-[3-(benzimidazol-1-yl)propyl]acetamide
SMILESCC(=O)N1CCCC[C@H]1CC(=O)NCCCn1cnc2ccccc21
InChIInChI=1S/C19H26N4O2/c1-15(24)23-12-5-4-7-16(23)13-19(25)20-10-6-11-22-14-21-17-8-2-3-9-18(17)22/h2-3,8-9,14,16H,4-7,10-13H2,1H3,(H,20,25)/t16-/m0/s1
InChIKeyPEGXZLSBGZRLCR-INIZCTEOSA-N
XLogP2.33
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(2R)-1-acetylpiperidin-2-yl]-N-[3-(benzimidazol-1-yl)propyl]acetamide
CID 95158428
3-[3-(benzimidazol-1-yl)propyl]-1-(cyclobutylmethyl)-1-methylurea
CID 56787596
N-[3-(benzimidazol-1-yl)propyl]-4-chlorobutanamide
CID 63308679
(2R)-N-[3-(benzimidazol-1-yl)propyl]pyrrolidine-2-carboxamide
CID 103813325
3-(benzimidazol-1-yl)-N-[2-(cycloheptylamino)ethyl]propanamide;dihydrochloride
CID 119619800
N-[3-(benzimidazol-1-yl)propyl]-2-(2-methoxyethylamino)acetamide;dihydrochloride
CID 119834602
N-[3-(benzimidazol-1-yl)propyl]-2-propan-2-yloxyacetamide
CID 47412640
N-[3-(benzimidazol-1-yl)propyl]-2,2-dimethylpropanamide
CID 47127030
N-[3-(benzimidazol-1-yl)propyl]-N',4-dimethylpiperidine-1-carboximidamide
CID 111211637
1-(benzenesulfonyl)-N-[3-(benzimidazol-1-yl)propyl]piperidine-4-carboxamide
CID 55408023
1-amino-N-[3-(benzimidazol-1-yl)propyl]cyclopentane-1-carboxamide
CID 61250242
1-[3-(benzimidazol-1-yl)propyl]-3-(1-cyclopropylpiperidin-4-yl)urea
CID 86994064

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1-acetylpiperidin-2-yl]-N-[3-(benzimidazol-1-yl)propyl]acetamide?
The IUPAC name of 2-[(2S)-1-acetylpiperidin-2-yl]-N-[3-(benzimidazol-1-yl)propyl]acetamide (CID 95158429) is 2-[(2S)-1-acetylpiperidin-2-yl]-N-[3-(benzimidazol-1-yl)propyl]acetamide.
What is the SMILES notation for 2-[(2S)-1-acetylpiperidin-2-yl]-N-[3-(benzimidazol-1-yl)propyl]acetamide?
The canonical SMILES for 2-[(2S)-1-acetylpiperidin-2-yl]-N-[3-(benzimidazol-1-yl)propyl]acetamide is CC(=O)N1CCCC[C@H]1CC(=O)NCCCn1cnc2ccccc21.
What is the InChIKey of 2-[(2S)-1-acetylpiperidin-2-yl]-N-[3-(benzimidazol-1-yl)propyl]acetamide?
The InChIKey is PEGXZLSBGZRLCR-INIZCTEOSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-15(24)23-12-5-4-7-16(23)13-19(25)20-10-6-11-22-14-21-17-8-2-3-9-18(17)22/h2-3,8-9,14,16H,4-7,10-13H2,1H3,(H,20,25)/t16-/m0/s1.
What are the key properties of 2-[(2S)-1-acetylpiperidin-2-yl]-N-[3-(benzimidazol-1-yl)propyl]acetamide?
2-[(2S)-1-acetylpiperidin-2-yl]-N-[3-(benzimidazol-1-yl)propyl]acetamide has a molecular weight of 342.44 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-1-acetylpiperidin-2-yl]-N-[3-(benzimidazol-1-yl)propyl]acetamide is sourced from PubChem (CID 95158429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).