N-(furan-2-ylmethyl)-1-[1-(2-methoxyethyl)benzimidazol-2-yl]piperidine-4-carboxamide

C21H26N4O3 — CID 42880175

IUPACN-(furan-2-ylmethyl)-1-[1-(2-methoxyethyl)benzimidazol-2-yl]piperidine-4-carboxamide
SMILESCOCCn1c(N2CCC(C(=O)NCc3ccco3)CC2)nc2ccccc21
InChIInChI=1S/C21H26N4O3/c1-27-14-12-25-19-7-3-2-6-18(19)23-21(25)24-10-8-16(9-11-24)20(26)22-15-17-5-4-13-28-17/h2-7,13,16H,8-12,14-15H2,1H3,(H,22,26)
InChIKeyPTKROYWGDIEMIF-UHFFFAOYSA-N
MW382.46 g/mol
LogP2.81
Rot. Bonds7

About N-(furan-2-ylmethyl)-1-[1-(2-methoxyethyl)benzimidazol-2-yl]piperidine-4-carboxamide

N-(furan-2-ylmethyl)-1-[1-(2-methoxyethyl)benzimidazol-2-yl]piperidine-4-carboxamide (PubChem CID 42880175) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-1-[1-(2-methoxyethyl)benzimidazol-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-1-[1-(2-methoxyethyl)benzimidazol-2-yl]piperidine-4-carboxamide
PubChem CID42880175
Molecular FormulaC21H26N4O3
Molecular Weight382.46 g/mol
Exact Mass382.20
IUPAC NameN-(furan-2-ylmethyl)-1-[1-(2-methoxyethyl)benzimidazol-2-yl]piperidine-4-carboxamide
SMILESCOCCn1c(N2CCC(C(=O)NCc3ccco3)CC2)nc2ccccc21
InChIInChI=1S/C21H26N4O3/c1-27-14-12-25-19-7-3-2-6-18(19)23-21(25)24-10-8-16(9-11-24)20(26)22-15-17-5-4-13-28-17/h2-7,13,16H,8-12,14-15H2,1H3,(H,22,26)
InChIKeyPTKROYWGDIEMIF-UHFFFAOYSA-N
XLogP2.81
TPSA72.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[1-(2-methoxyethyl)benzimidazol-2-yl]-N-(2-piperidin-1-ylethyl)piperidine-4-carboxamide
CID 42880181
N-(2-methoxyethyl)-1-(1-propylbenzimidazol-2-yl)piperidine-4-carboxamide
CID 46106595
N-(3-methoxypropyl)-1-(1-prop-2-enylbenzimidazol-2-yl)piperidine-4-carboxamide
CID 16675719
1-(1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)piperidine-4-carboxamide
CID 43815642
1-[1-(2-phenylethyl)benzimidazol-2-yl]-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide
CID 46108688
(3S)-1-(1-cyclohexylbenzimidazol-2-yl)-N-(furan-2-ylmethyl)piperidine-3-carboxamide
CID 93013854
(3S)-N-(2-methoxyethyl)-1-(1-propylbenzimidazol-2-yl)piperidine-3-carboxamide
CID 93015076
1-(4-benzyl-3-oxoquinoxalin-2-yl)-N-[2-(furan-2-yl)ethyl]piperidine-4-carboxamide
CID 53062480
(3R)-N-(furan-2-ylmethyl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
CID 94045963
1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-(furan-2-ylmethyl)piperidine-4-carboxamide
CID 46381273
N-(3-methoxypropyl)-1-(1-propylbenzimidazol-2-yl)piperidine-3-carboxamide
CID 46106619
4-(furan-2-ylmethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 63789935

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-1-[1-(2-methoxyethyl)benzimidazol-2-yl]piperidine-4-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-1-[1-(2-methoxyethyl)benzimidazol-2-yl]piperidine-4-carboxamide (CID 42880175) is N-(furan-2-ylmethyl)-1-[1-(2-methoxyethyl)benzimidazol-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-1-[1-(2-methoxyethyl)benzimidazol-2-yl]piperidine-4-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-1-[1-(2-methoxyethyl)benzimidazol-2-yl]piperidine-4-carboxamide is COCCn1c(N2CCC(C(=O)NCc3ccco3)CC2)nc2ccccc21.
What is the InChIKey of N-(furan-2-ylmethyl)-1-[1-(2-methoxyethyl)benzimidazol-2-yl]piperidine-4-carboxamide?
The InChIKey is PTKROYWGDIEMIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3/c1-27-14-12-25-19-7-3-2-6-18(19)23-21(25)24-10-8-16(9-11-24)20(26)22-15-17-5-4-13-28-17/h2-7,13,16H,8-12,14-15H2,1H3,(H,22,26).
What are the key properties of N-(furan-2-ylmethyl)-1-[1-(2-methoxyethyl)benzimidazol-2-yl]piperidine-4-carboxamide?
N-(furan-2-ylmethyl)-1-[1-(2-methoxyethyl)benzimidazol-2-yl]piperidine-4-carboxamide has a molecular weight of 382.46 g/mol, XLogP of 2.81, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-1-[1-(2-methoxyethyl)benzimidazol-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 42880175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).