N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]-4-(oxolan-2-yl)piperidine-1-carboxamide

C19H26N4O3 — CID 146129531

IUPACN-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]-4-(oxolan-2-yl)piperidine-1-carboxamide
SMILESO=C(NCCn1c(=O)[nH]c2ccccc21)N1CCC(C2CCCO2)CC1
InChIInChI=1S/C19H26N4O3/c24-18(22-10-7-14(8-11-22)17-6-3-13-26-17)20-9-12-23-16-5-2-1-4-15(16)21-19(23)25/h1-2,4-5,14,17H,3,6-13H2,(H,20,24)(H,21,25)
InChIKeyNANAOCFYAUCTRU-UHFFFAOYSA-N
MW358.44 g/mol
LogP1.93
Rot. Bonds4

About N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]-4-(oxolan-2-yl)piperidine-1-carboxamide

N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]-4-(oxolan-2-yl)piperidine-1-carboxamide (PubChem CID 146129531) has the molecular formula C19H26N4O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]-4-(oxolan-2-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]-4-(oxolan-2-yl)piperidine-1-carboxamide
PubChem CID146129531
Molecular FormulaC19H26N4O3
Molecular Weight358.44 g/mol
Exact Mass358.20
IUPAC NameN-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]-4-(oxolan-2-yl)piperidine-1-carboxamide
SMILESO=C(NCCn1c(=O)[nH]c2ccccc21)N1CCC(C2CCCO2)CC1
InChIInChI=1S/C19H26N4O3/c24-18(22-10-7-14(8-11-22)17-6-3-13-26-17)20-9-12-23-16-5-2-1-4-15(16)21-19(23)25/h1-2,4-5,14,17H,3,6-13H2,(H,20,24)(H,21,25)
InChIKeyNANAOCFYAUCTRU-UHFFFAOYSA-N
XLogP1.93
TPSA79.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(1H-indol-2-yl)ethyl]-4-[(2R)-oxolan-2-yl]piperidine-1-carboxamide
CID 99789227
3-(4-chloropyrazol-1-yl)-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]pyrrolidine-1-carboxamide
CID 138043446
N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]-4-pyrrolidin-1-ylbenzamide
CID 110417561
(2R)-1-(cyclopropanecarbonyl)-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]pyrrolidine-2-carboxamide
CID 97338296
N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]-2-phenylacetamide
CID 110400739
3-amino-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]cyclohexane-1-carboxamide
CID 119813057
N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]-5,6-dihydro-4H-cyclopenta[c]furan-3-carboxamide
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3-[2-[[(3S)-1-azabicyclo[2.2.2]octan-3-yl]amino]ethyl]-1H-benzimidazol-2-one
CID 141288019
N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]adamantane-1-carboxamide
CID 110400781
N-[(2R)-2-methoxy-2-phenylethyl]-4-[(2R)-oxolan-2-yl]piperidine-1-carboxamide
CID 124619395
N-[(2-nitrophenyl)methyl]-4-[(2S)-oxolan-2-yl]piperidine-1-carboxamide
CID 124619332
phenyl N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]carbamate
CID 110400773

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]-4-(oxolan-2-yl)piperidine-1-carboxamide?
The IUPAC name of N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]-4-(oxolan-2-yl)piperidine-1-carboxamide (CID 146129531) is N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]-4-(oxolan-2-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]-4-(oxolan-2-yl)piperidine-1-carboxamide?
The canonical SMILES for N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]-4-(oxolan-2-yl)piperidine-1-carboxamide is O=C(NCCn1c(=O)[nH]c2ccccc21)N1CCC(C2CCCO2)CC1.
What is the InChIKey of N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]-4-(oxolan-2-yl)piperidine-1-carboxamide?
The InChIKey is NANAOCFYAUCTRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3/c24-18(22-10-7-14(8-11-22)17-6-3-13-26-17)20-9-12-23-16-5-2-1-4-15(16)21-19(23)25/h1-2,4-5,14,17H,3,6-13H2,(H,20,24)(H,21,25).
What are the key properties of N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]-4-(oxolan-2-yl)piperidine-1-carboxamide?
N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]-4-(oxolan-2-yl)piperidine-1-carboxamide has a molecular weight of 358.44 g/mol, XLogP of 1.93, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]-4-(oxolan-2-yl)piperidine-1-carboxamide is sourced from PubChem (CID 146129531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).