1-[(1-ethyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)methyl]piperidine-2-carboxamide

C21H31N5O3S — CID 42914016

IUPAC1-[(1-ethyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)methyl]piperidine-2-carboxamide
SMILESCCn1c(CN2CCCCC2C(N)=O)nc2cc(S(=O)(=O)N3CCCCC3)ccc21
InChIInChI=1S/C21H31N5O3S/c1-2-26-18-10-9-16(30(28,29)25-12-5-3-6-13-25)14-17(18)23-20(26)15-24-11-7-4-8-19(24)21(22)27/h9-10,14,19H,2-8,11-13,15H2,1H3,(H2,22,27)
InChIKeyICCZZDCYUMUWIN-UHFFFAOYSA-N
MW433.58 g/mol
LogP2.07
Rot. Bonds6

About 1-[(1-ethyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)methyl]piperidine-2-carboxamide

1-[(1-ethyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)methyl]piperidine-2-carboxamide (PubChem CID 42914016) has the molecular formula C21H31N5O3S and a molecular weight of 433.58 g/mol. Its IUPAC name is 1-[(1-ethyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)methyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name1-[(1-ethyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)methyl]piperidine-2-carboxamide
PubChem CID42914016
Molecular FormulaC21H31N5O3S
Molecular Weight433.58 g/mol
Exact Mass433.21
IUPAC Name1-[(1-ethyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)methyl]piperidine-2-carboxamide
SMILESCCn1c(CN2CCCCC2C(N)=O)nc2cc(S(=O)(=O)N3CCCCC3)ccc21
InChIInChI=1S/C21H31N5O3S/c1-2-26-18-10-9-16(30(28,29)25-12-5-3-6-13-25)14-17(18)23-20(26)15-24-11-7-4-8-19(24)21(22)27/h9-10,14,19H,2-8,11-13,15H2,1H3,(H2,22,27)
InChIKeyICCZZDCYUMUWIN-UHFFFAOYSA-N
XLogP2.07
TPSA101.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.58
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-ethyl-5-piperidin-1-ylsulfonyl-2-[(2-thiophen-3-ylpyrrolidin-1-yl)methyl]benzimidazole
CID 55849723
1-ethyl-2-[[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]methyl]-5-piperidin-1-ylsulfonylbenzimidazole
CID 25339361
4-[(1-ethyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)methyl]thiomorpholine
CID 56524886
ethyl 2-[(1-ethyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)methylsulfanyl]acetate
CID 40685208
4-[2-[[2-(2-chlorophenyl)pyrrolidin-1-yl]methyl]-1-ethylbenzimidazol-5-yl]sulfonylmorpholine
CID 55839475
(1-ethyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)methyl 5-methylthiophene-2-carboxylate
CID 16540772
(2S,6R)-4-[(1-ethyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)methyl]-2,6-dimethylmorpholin-4-ium
CID 8005562
1-cyclopropyl-3-[(1-ethyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)methyl]-2,4-dioxopyrimidine-5-carbonitrile
CID 30873352
N-carbamoyl-2-(1-ethyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)sulfanylacetamide
CID 16514893
methyl 4-[(1-ethyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)methylamino]benzoate
CID 37475473
N-cyclohexyl-3-(1-ethyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)sulfanylpropanamide
CID 55481888
(2S)-4-[(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 40821039

Frequently Asked Questions

What is the IUPAC name of 1-[(1-ethyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)methyl]piperidine-2-carboxamide?
The IUPAC name of 1-[(1-ethyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)methyl]piperidine-2-carboxamide (CID 42914016) is 1-[(1-ethyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)methyl]piperidine-2-carboxamide.
What is the SMILES notation for 1-[(1-ethyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)methyl]piperidine-2-carboxamide?
The canonical SMILES for 1-[(1-ethyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)methyl]piperidine-2-carboxamide is CCn1c(CN2CCCCC2C(N)=O)nc2cc(S(=O)(=O)N3CCCCC3)ccc21.
What is the InChIKey of 1-[(1-ethyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)methyl]piperidine-2-carboxamide?
The InChIKey is ICCZZDCYUMUWIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N5O3S/c1-2-26-18-10-9-16(30(28,29)25-12-5-3-6-13-25)14-17(18)23-20(26)15-24-11-7-4-8-19(24)21(22)27/h9-10,14,19H,2-8,11-13,15H2,1H3,(H2,22,27).
What are the key properties of 1-[(1-ethyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)methyl]piperidine-2-carboxamide?
1-[(1-ethyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)methyl]piperidine-2-carboxamide has a molecular weight of 433.58 g/mol, XLogP of 2.07, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-ethyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)methyl]piperidine-2-carboxamide is sourced from PubChem (CID 42914016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).