4-[(1-ethylbenzimidazol-2-yl)methyl]piperidine-2-carboxamide

C16H22N4O — CID 106780314

IUPAC4-[(1-ethylbenzimidazol-2-yl)methyl]piperidine-2-carboxamide
SMILESCCn1c(CC2CCNC(C(N)=O)C2)nc2ccccc21
InChIInChI=1S/C16H22N4O/c1-2-20-14-6-4-3-5-12(14)19-15(20)10-11-7-8-18-13(9-11)16(17)21/h3-6,11,13,18H,2,7-10H2,1H3,(H2,17,21)
InChIKeyVPACSVMFWVEPNE-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.45
Rot. Bonds4

About 4-[(1-ethylbenzimidazol-2-yl)methyl]piperidine-2-carboxamide

4-[(1-ethylbenzimidazol-2-yl)methyl]piperidine-2-carboxamide (PubChem CID 106780314) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 4-[(1-ethylbenzimidazol-2-yl)methyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name4-[(1-ethylbenzimidazol-2-yl)methyl]piperidine-2-carboxamide
PubChem CID106780314
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name4-[(1-ethylbenzimidazol-2-yl)methyl]piperidine-2-carboxamide
SMILESCCn1c(CC2CCNC(C(N)=O)C2)nc2ccccc21
InChIInChI=1S/C16H22N4O/c1-2-20-14-6-4-3-5-12(14)19-15(20)10-11-7-8-18-13(9-11)16(17)21/h3-6,11,13,18H,2,7-10H2,1H3,(H2,17,21)
InChIKeyVPACSVMFWVEPNE-UHFFFAOYSA-N
XLogP1.45
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(1-ethylbenzimidazol-2-yl)methyl]cyclopentan-1-ol
CID 79750884
4-(naphthalen-1-ylmethyl)piperidine-2-carboxamide
CID 106778520
2-[(1-ethylbenzimidazol-2-yl)methyl]cyclopentan-1-ol
CID 79750335
1-ethyl-2-[(5-methylpiperidin-3-yl)methyl]benzimidazole
CID 106780313
1-(1-ethylbenzimidazol-2-yl)-3-(thian-4-yl)propan-2-one
CID 105114577
1,3-bis(1-ethylbenzimidazol-2-yl)propan-2-one
CID 91072390
1-cyclopropyl-N-[(1-ethylbenzimidazol-2-yl)methyl]methanamine
CID 43655424
1-cyclobutyl-2-(1-ethylbenzimidazol-2-yl)ethanone
CID 79753193
N-[(1-ethylbenzimidazol-2-yl)methyl]cyclopropanecarboxamide
CID 16969775
3-amino-3-ethyl-1-(1-ethylbenzimidazol-2-yl)pentan-2-one
CID 116592819
1-(1-ethylbenzimidazol-2-yl)butan-2-one
CID 79754082
1-(2-aminocyclohexyl)-2-(1-ethylbenzimidazol-2-yl)ethanone
CID 116580009

Frequently Asked Questions

What is the IUPAC name of 4-[(1-ethylbenzimidazol-2-yl)methyl]piperidine-2-carboxamide?
The IUPAC name of 4-[(1-ethylbenzimidazol-2-yl)methyl]piperidine-2-carboxamide (CID 106780314) is 4-[(1-ethylbenzimidazol-2-yl)methyl]piperidine-2-carboxamide.
What is the SMILES notation for 4-[(1-ethylbenzimidazol-2-yl)methyl]piperidine-2-carboxamide?
The canonical SMILES for 4-[(1-ethylbenzimidazol-2-yl)methyl]piperidine-2-carboxamide is CCn1c(CC2CCNC(C(N)=O)C2)nc2ccccc21.
What is the InChIKey of 4-[(1-ethylbenzimidazol-2-yl)methyl]piperidine-2-carboxamide?
The InChIKey is VPACSVMFWVEPNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-2-20-14-6-4-3-5-12(14)19-15(20)10-11-7-8-18-13(9-11)16(17)21/h3-6,11,13,18H,2,7-10H2,1H3,(H2,17,21).
What are the key properties of 4-[(1-ethylbenzimidazol-2-yl)methyl]piperidine-2-carboxamide?
4-[(1-ethylbenzimidazol-2-yl)methyl]piperidine-2-carboxamide has a molecular weight of 286.38 g/mol, XLogP of 1.45, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-ethylbenzimidazol-2-yl)methyl]piperidine-2-carboxamide is sourced from PubChem (CID 106780314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).