1-acetyl-N-[2-(1,2-dimethylbenzimidazol-5-yl)ethyl]piperidine-4-carboxamide

C19H26N4O2 — CID 110796185

IUPAC1-acetyl-N-[2-(1,2-dimethylbenzimidazol-5-yl)ethyl]piperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)NCCc2ccc3c(c2)nc(C)n3C)CC1
InChIInChI=1S/C19H26N4O2/c1-13-21-17-12-15(4-5-18(17)22(13)3)6-9-20-19(25)16-7-10-23(11-8-16)14(2)24/h4-5,12,16H,6-11H2,1-3H3,(H,20,25)
InChIKeyUFZSGBACKRBUDT-UHFFFAOYSA-N
MW342.44 g/mol
LogP1.80
Rot. Bonds4

About 1-acetyl-N-[2-(1,2-dimethylbenzimidazol-5-yl)ethyl]piperidine-4-carboxamide

1-acetyl-N-[2-(1,2-dimethylbenzimidazol-5-yl)ethyl]piperidine-4-carboxamide (PubChem CID 110796185) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 1-acetyl-N-[2-(1,2-dimethylbenzimidazol-5-yl)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-[2-(1,2-dimethylbenzimidazol-5-yl)ethyl]piperidine-4-carboxamide
PubChem CID110796185
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name1-acetyl-N-[2-(1,2-dimethylbenzimidazol-5-yl)ethyl]piperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)NCCc2ccc3c(c2)nc(C)n3C)CC1
InChIInChI=1S/C19H26N4O2/c1-13-21-17-12-15(4-5-18(17)22(13)3)6-9-20-19(25)16-7-10-23(11-8-16)14(2)24/h4-5,12,16H,6-11H2,1-3H3,(H,20,25)
InChIKeyUFZSGBACKRBUDT-UHFFFAOYSA-N
XLogP1.80
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-acetyl-N-[2-(3,4-dimethylphenyl)ethyl]piperidine-4-carboxamide
CID 110795075
2-(1,2-dimethylbenzimidazol-5-yl)ethylcarbamic acid
CID 115171173
1-acetyl-N-[2-(3,4-dimethoxyphenyl)ethyl]piperidine-4-carboxamide
CID 6465009
3-amino-N-[2-(1,2-dimethylbenzimidazol-5-yl)ethyl]propanamide
CID 115153026
1-[2-(1,2-dimethylbenzimidazol-5-yl)ethyl]-3-propan-2-ylurea
CID 110776234
1-[2-(1,2-dimethylbenzimidazol-5-yl)acetyl]piperidine-4-carboxamide
CID 110773151
1-acetyl-N-[2-(3-acetylphenyl)ethyl]piperidine-4-carboxamide
CID 90729185
1-acetyl-N-[2-(3-ethyl-4-methoxyphenyl)ethyl]piperidine-4-carboxamide
CID 110795515
3-[2-(1,2-dimethylbenzimidazol-5-yl)ethylamino]propanoic acid
CID 112519294
1-acetyl-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperidine-4-carboxamide
CID 110796341
2-[2-(1,2-dimethylbenzimidazol-5-yl)ethylamino]ethanol
CID 115216317
1-acetyl-N-[2-(2-hydroxyphenyl)ethyl]piperidine-4-carboxamide
CID 110672379

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[2-(1,2-dimethylbenzimidazol-5-yl)ethyl]piperidine-4-carboxamide?
The IUPAC name of 1-acetyl-N-[2-(1,2-dimethylbenzimidazol-5-yl)ethyl]piperidine-4-carboxamide (CID 110796185) is 1-acetyl-N-[2-(1,2-dimethylbenzimidazol-5-yl)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-acetyl-N-[2-(1,2-dimethylbenzimidazol-5-yl)ethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-acetyl-N-[2-(1,2-dimethylbenzimidazol-5-yl)ethyl]piperidine-4-carboxamide is CC(=O)N1CCC(C(=O)NCCc2ccc3c(c2)nc(C)n3C)CC1.
What is the InChIKey of 1-acetyl-N-[2-(1,2-dimethylbenzimidazol-5-yl)ethyl]piperidine-4-carboxamide?
The InChIKey is UFZSGBACKRBUDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-13-21-17-12-15(4-5-18(17)22(13)3)6-9-20-19(25)16-7-10-23(11-8-16)14(2)24/h4-5,12,16H,6-11H2,1-3H3,(H,20,25).
What are the key properties of 1-acetyl-N-[2-(1,2-dimethylbenzimidazol-5-yl)ethyl]piperidine-4-carboxamide?
1-acetyl-N-[2-(1,2-dimethylbenzimidazol-5-yl)ethyl]piperidine-4-carboxamide has a molecular weight of 342.44 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-[2-(1,2-dimethylbenzimidazol-5-yl)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 110796185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).