1-ethylsulfonyl-N-(1-propylbenzimidazol-2-yl)piperidine-4-carboxamide

C18H26N4O3S — CID 34052499

IUPAC1-ethylsulfonyl-N-(1-propylbenzimidazol-2-yl)piperidine-4-carboxamide
SMILESCCCn1c(NC(=O)C2CCN(S(=O)(=O)CC)CC2)nc2ccccc21
InChIInChI=1S/C18H26N4O3S/c1-3-11-22-16-8-6-5-7-15(16)19-18(22)20-17(23)14-9-12-21(13-10-14)26(24,25)4-2/h5-8,14H,3-4,9-13H2,1-2H3,(H,19,20,23)
InChIKeyDFPQWTISDMUTBP-UHFFFAOYSA-N
MW378.50 g/mol
LogP2.45
Rot. Bonds6

About 1-ethylsulfonyl-N-(1-propylbenzimidazol-2-yl)piperidine-4-carboxamide

1-ethylsulfonyl-N-(1-propylbenzimidazol-2-yl)piperidine-4-carboxamide (PubChem CID 34052499) has the molecular formula C18H26N4O3S and a molecular weight of 378.50 g/mol. Its IUPAC name is 1-ethylsulfonyl-N-(1-propylbenzimidazol-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-ethylsulfonyl-N-(1-propylbenzimidazol-2-yl)piperidine-4-carboxamide
PubChem CID34052499
Molecular FormulaC18H26N4O3S
Molecular Weight378.50 g/mol
Exact Mass378.17
IUPAC Name1-ethylsulfonyl-N-(1-propylbenzimidazol-2-yl)piperidine-4-carboxamide
SMILESCCCn1c(NC(=O)C2CCN(S(=O)(=O)CC)CC2)nc2ccccc21
InChIInChI=1S/C18H26N4O3S/c1-3-11-22-16-8-6-5-7-15(16)19-18(22)20-17(23)14-9-12-21(13-10-14)26(24,25)4-2/h5-8,14H,3-4,9-13H2,1-2H3,(H,19,20,23)
InChIKeyDFPQWTISDMUTBP-UHFFFAOYSA-N
XLogP2.45
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.50
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-propylbenzimidazol-2-yl)piperidine-4-carboxamide;hydrochloride
CID 119265083
tert-butyl 4-[(1-propylbenzimidazol-2-yl)carbamoyl]piperidine-1-carboxylate
CID 29322747
1-butylsulfonyl-N-(1-phenylbenzimidazol-2-yl)piperidine-4-carboxamide
CID 55806336
(3S)-1-cyclopropyl-5-oxo-N-(1-propylbenzimidazol-2-yl)pyrrolidine-3-carboxamide
CID 36809640
2-[(1-propylbenzimidazol-2-yl)carbamoyl]cyclopropane-1-carboxylic acid
CID 119179377
(3R)-1-cyclopentyl-5-oxo-N-(1-propylbenzimidazol-2-yl)pyrrolidine-3-carboxamide
CID 25346487
(2R)-1-(2-fluorophenyl)sulfonyl-N-(1-propylbenzimidazol-2-yl)pyrrolidine-2-carboxamide
CID 41015418
(2S)-1-N-propan-2-yl-2-N-(1-propylbenzimidazol-2-yl)pyrrolidine-1,2-dicarboxamide
CID 136580553
4-butyl-N-(1-methylbenzimidazol-2-yl)cyclohexane-1-carboxamide
CID 3346804
(3S)-1-[4-(diethylsulfamoyl)phenyl]-5-oxo-N-(1-propylbenzimidazol-2-yl)pyrrolidine-3-carboxamide
CID 25350413
(3S)-1-(2-fluorophenyl)-5-oxo-N-(1-propylbenzimidazol-2-yl)pyrrolidine-3-carboxamide
CID 25356215
N-(2-chlorophenyl)-1-ethylsulfonylpiperidine-4-carboxamide
CID 17027092

Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfonyl-N-(1-propylbenzimidazol-2-yl)piperidine-4-carboxamide?
The IUPAC name of 1-ethylsulfonyl-N-(1-propylbenzimidazol-2-yl)piperidine-4-carboxamide (CID 34052499) is 1-ethylsulfonyl-N-(1-propylbenzimidazol-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-ethylsulfonyl-N-(1-propylbenzimidazol-2-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-ethylsulfonyl-N-(1-propylbenzimidazol-2-yl)piperidine-4-carboxamide is CCCn1c(NC(=O)C2CCN(S(=O)(=O)CC)CC2)nc2ccccc21.
What is the InChIKey of 1-ethylsulfonyl-N-(1-propylbenzimidazol-2-yl)piperidine-4-carboxamide?
The InChIKey is DFPQWTISDMUTBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O3S/c1-3-11-22-16-8-6-5-7-15(16)19-18(22)20-17(23)14-9-12-21(13-10-14)26(24,25)4-2/h5-8,14H,3-4,9-13H2,1-2H3,(H,19,20,23).
What are the key properties of 1-ethylsulfonyl-N-(1-propylbenzimidazol-2-yl)piperidine-4-carboxamide?
1-ethylsulfonyl-N-(1-propylbenzimidazol-2-yl)piperidine-4-carboxamide has a molecular weight of 378.50 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfonyl-N-(1-propylbenzimidazol-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 34052499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).