(3R)-1-[2-(3-ethyl-2-oxobenzimidazol-1-yl)acetyl]piperidine-3-carboxamide

C17H22N4O3 — CID 94178599

IUPAC(3R)-1-[2-(3-ethyl-2-oxobenzimidazol-1-yl)acetyl]piperidine-3-carboxamide
SMILESCCn1c(=O)n(CC(=O)N2CCC[C@@H](C(N)=O)C2)c2ccccc21
InChIInChI=1S/C17H22N4O3/c1-2-20-13-7-3-4-8-14(13)21(17(20)24)11-15(22)19-9-5-6-12(10-19)16(18)23/h3-4,7-8,12H,2,5-6,9-11H2,1H3,(H2,18,23)/t12-/m1/s1
InChIKeyMBZPGWCJNUESSF-GFCCVEGCSA-N
MW330.39 g/mol
LogP0.55
Rot. Bonds4

About (3R)-1-[2-(3-ethyl-2-oxobenzimidazol-1-yl)acetyl]piperidine-3-carboxamide

(3R)-1-[2-(3-ethyl-2-oxobenzimidazol-1-yl)acetyl]piperidine-3-carboxamide (PubChem CID 94178599) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is (3R)-1-[2-(3-ethyl-2-oxobenzimidazol-1-yl)acetyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[2-(3-ethyl-2-oxobenzimidazol-1-yl)acetyl]piperidine-3-carboxamide
PubChem CID94178599
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC Name(3R)-1-[2-(3-ethyl-2-oxobenzimidazol-1-yl)acetyl]piperidine-3-carboxamide
SMILESCCn1c(=O)n(CC(=O)N2CCC[C@@H](C(N)=O)C2)c2ccccc21
InChIInChI=1S/C17H22N4O3/c1-2-20-13-7-3-4-8-14(13)21(17(20)24)11-15(22)19-9-5-6-12(10-19)16(18)23/h3-4,7-8,12H,2,5-6,9-11H2,1H3,(H2,18,23)/t12-/m1/s1
InChIKeyMBZPGWCJNUESSF-GFCCVEGCSA-N
XLogP0.55
TPSA90.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-1-[2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetyl]pyrrolidine-3-carboxamide
CID 94512675
1-ethyl-3-[2-[3-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]benzimidazol-2-one
CID 110886835
1-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-3-ethylbenzimidazol-2-one
CID 119374924
1-ethyl-3-[2-oxo-2-[3-(phenoxymethyl)piperidin-1-yl]ethyl]benzimidazol-2-one
CID 86971333
1-ethyl-3-[2-(2-ethylmorpholin-4-yl)-2-oxoethyl]benzimidazol-2-one
CID 43070571
(3S)-1-[2-(2-ethylphenyl)acetyl]piperidine-3-carboxamide
CID 172675194
(3R)-1-[2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetyl]-N-(1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
CID 51962711
ethyl 4-[2-(3-ethyl-2-oxobenzimidazol-1-yl)acetyl]piperazine-1-carboxylate
CID 16574565
2-[1-[2-(3-ethyl-2-oxobenzimidazol-1-yl)acetyl]piperidin-4-yl]acetic acid
CID 119177808
1-ethyl-3-[2-oxo-2-(2-phenylpyrrolidin-1-yl)ethyl]benzimidazol-2-one
CID 51319062
1-[2-[(3S,4R)-3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-oxoethyl]-3-ethylbenzimidazol-2-one
CID 96513038
1-ethyl-3-[2-[4-(2-hydroxyphenyl)piperazin-1-yl]-2-oxoethyl]benzimidazol-2-one
CID 31947890

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[2-(3-ethyl-2-oxobenzimidazol-1-yl)acetyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-1-[2-(3-ethyl-2-oxobenzimidazol-1-yl)acetyl]piperidine-3-carboxamide (CID 94178599) is (3R)-1-[2-(3-ethyl-2-oxobenzimidazol-1-yl)acetyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[2-(3-ethyl-2-oxobenzimidazol-1-yl)acetyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-[2-(3-ethyl-2-oxobenzimidazol-1-yl)acetyl]piperidine-3-carboxamide is CCn1c(=O)n(CC(=O)N2CCC[C@@H](C(N)=O)C2)c2ccccc21.
What is the InChIKey of (3R)-1-[2-(3-ethyl-2-oxobenzimidazol-1-yl)acetyl]piperidine-3-carboxamide?
The InChIKey is MBZPGWCJNUESSF-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H22N4O3/c1-2-20-13-7-3-4-8-14(13)21(17(20)24)11-15(22)19-9-5-6-12(10-19)16(18)23/h3-4,7-8,12H,2,5-6,9-11H2,1H3,(H2,18,23)/t12-/m1/s1.
What are the key properties of (3R)-1-[2-(3-ethyl-2-oxobenzimidazol-1-yl)acetyl]piperidine-3-carboxamide?
(3R)-1-[2-(3-ethyl-2-oxobenzimidazol-1-yl)acetyl]piperidine-3-carboxamide has a molecular weight of 330.39 g/mol, XLogP of 0.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[2-(3-ethyl-2-oxobenzimidazol-1-yl)acetyl]piperidine-3-carboxamide is sourced from PubChem (CID 94178599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).