N-(2-ethenoxyethyl)-1-(1-ethylbenzimidazol-2-yl)piperidine-3-carboxamide

C19H26N4O2 — CID 43817815

IUPACN-(2-ethenoxyethyl)-1-(1-ethylbenzimidazol-2-yl)piperidine-3-carboxamide
SMILESC=COCCNC(=O)C1CCCN(c2nc3ccccc3n2CC)C1
InChIInChI=1S/C19H26N4O2/c1-3-23-17-10-6-5-9-16(17)21-19(23)22-12-7-8-15(14-22)18(24)20-11-13-25-4-2/h4-6,9-10,15H,2-3,7-8,11-14H2,1H3,(H,20,24)
InChIKeyACSXYOFBYZYBAR-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.55
Rot. Bonds7

About N-(2-ethenoxyethyl)-1-(1-ethylbenzimidazol-2-yl)piperidine-3-carboxamide

N-(2-ethenoxyethyl)-1-(1-ethylbenzimidazol-2-yl)piperidine-3-carboxamide (PubChem CID 43817815) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is N-(2-ethenoxyethyl)-1-(1-ethylbenzimidazol-2-yl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-ethenoxyethyl)-1-(1-ethylbenzimidazol-2-yl)piperidine-3-carboxamide
PubChem CID43817815
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC NameN-(2-ethenoxyethyl)-1-(1-ethylbenzimidazol-2-yl)piperidine-3-carboxamide
SMILESC=COCCNC(=O)C1CCCN(c2nc3ccccc3n2CC)C1
InChIInChI=1S/C19H26N4O2/c1-3-23-17-10-6-5-9-16(17)21-19(23)22-12-7-8-15(14-22)18(24)20-11-13-25-4-2/h4-6,9-10,15H,2-3,7-8,11-14H2,1H3,(H,20,24)
InChIKeyACSXYOFBYZYBAR-UHFFFAOYSA-N
XLogP2.55
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(3S)-N-(2-ethenoxyethyl)-1-(1-methylbenzimidazol-2-yl)piperidine-3-carboxamide
CID 51494599
(3S)-N-(2-methoxyethyl)-1-(1-propylbenzimidazol-2-yl)piperidine-3-carboxamide
CID 93015076
methyl 2-[[(3R)-1-(1-ethylbenzimidazol-2-yl)piperidine-3-carbonyl]amino]acetate
CID 51494618
N-(3-methoxypropyl)-1-(1-propylbenzimidazol-2-yl)piperidine-3-carboxamide
CID 46106619
(3S)-1-[1-(cyclohexylmethyl)benzimidazol-2-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide
CID 93015049
1-(1-ethylbenzimidazol-2-yl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
CID 46959589
(3R)-1-(1-methylbenzimidazol-2-yl)-N-prop-2-enylpiperidine-3-carboxamide
CID 95849384
N-(3-methoxypropyl)-1-(1-prop-2-enylbenzimidazol-2-yl)piperidine-4-carboxamide
CID 16675719
N-(2-methoxyethyl)-1-(1-propylbenzimidazol-2-yl)piperidine-4-carboxamide
CID 46106595
1-(1-ethylbenzimidazol-2-yl)-N-(4-hydroxybutyl)piperidine-4-carboxamide
CID 16669306
1-(1-butylbenzimidazol-2-yl)-N-(2-morpholin-4-ylethyl)piperidine-3-carboxamide
CID 42880667
(3S)-1-[1-(3-methylbutyl)benzimidazol-2-yl]-N-(2-methylpropyl)piperidine-3-carboxamide
CID 93015133

Frequently Asked Questions

What is the IUPAC name of N-(2-ethenoxyethyl)-1-(1-ethylbenzimidazol-2-yl)piperidine-3-carboxamide?
The IUPAC name of N-(2-ethenoxyethyl)-1-(1-ethylbenzimidazol-2-yl)piperidine-3-carboxamide (CID 43817815) is N-(2-ethenoxyethyl)-1-(1-ethylbenzimidazol-2-yl)piperidine-3-carboxamide.
What is the SMILES notation for N-(2-ethenoxyethyl)-1-(1-ethylbenzimidazol-2-yl)piperidine-3-carboxamide?
The canonical SMILES for N-(2-ethenoxyethyl)-1-(1-ethylbenzimidazol-2-yl)piperidine-3-carboxamide is C=COCCNC(=O)C1CCCN(c2nc3ccccc3n2CC)C1.
What is the InChIKey of N-(2-ethenoxyethyl)-1-(1-ethylbenzimidazol-2-yl)piperidine-3-carboxamide?
The InChIKey is ACSXYOFBYZYBAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-3-23-17-10-6-5-9-16(17)21-19(23)22-12-7-8-15(14-22)18(24)20-11-13-25-4-2/h4-6,9-10,15H,2-3,7-8,11-14H2,1H3,(H,20,24).
What are the key properties of N-(2-ethenoxyethyl)-1-(1-ethylbenzimidazol-2-yl)piperidine-3-carboxamide?
N-(2-ethenoxyethyl)-1-(1-ethylbenzimidazol-2-yl)piperidine-3-carboxamide has a molecular weight of 342.44 g/mol, XLogP of 2.55, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethenoxyethyl)-1-(1-ethylbenzimidazol-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 43817815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).