ethyl 1-[3-(1-methyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)propanoyl]piperidine-4-carboxylate

C24H34N4O5S — CID 27554834

IUPACethyl 1-[3-(1-methyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)propanoyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)CCc2nc3cc(S(=O)(=O)N4CCCCC4)ccc3n2C)CC1
InChIInChI=1S/C24H34N4O5S/c1-3-33-24(30)18-11-15-27(16-12-18)23(29)10-9-22-25-20-17-19(7-8-21(20)26(22)2)34(31,32)28-13-5-4-6-14-28/h7-8,17-18H,3-6,9-16H2,1-2H3
InChIKeyYNEPQMLEQZZUIW-UHFFFAOYSA-N
MW490.63 g/mol
LogP2.48
Rot. Bonds7

About ethyl 1-[3-(1-methyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)propanoyl]piperidine-4-carboxylate

ethyl 1-[3-(1-methyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)propanoyl]piperidine-4-carboxylate (PubChem CID 27554834) has the molecular formula C24H34N4O5S and a molecular weight of 490.63 g/mol. Its IUPAC name is ethyl 1-[3-(1-methyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)propanoyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[3-(1-methyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)propanoyl]piperidine-4-carboxylate
PubChem CID27554834
Molecular FormulaC24H34N4O5S
Molecular Weight490.63 g/mol
Exact Mass490.22
IUPAC Nameethyl 1-[3-(1-methyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)propanoyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)CCc2nc3cc(S(=O)(=O)N4CCCCC4)ccc3n2C)CC1
InChIInChI=1S/C24H34N4O5S/c1-3-33-24(30)18-11-15-27(16-12-18)23(29)10-9-22-25-20-17-19(7-8-21(20)26(22)2)34(31,32)28-13-5-4-6-14-28/h7-8,17-18H,3-6,9-16H2,1-2H3
InChIKeyYNEPQMLEQZZUIW-UHFFFAOYSA-N
XLogP2.48
TPSA101.81 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.63
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze ethyl 1-[3-(1-methyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)propanoyl]piperidine-4-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

ethyl 4-[3-(1-methyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)propanoyl]piperazine-1-carboxylate
CID 43002313
1-(azepan-1-yl)-3-(1-methyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)propan-1-one
CID 27658996
ethyl 1-[3-(5-piperidin-1-ylsulfonylbenzimidazol-1-yl)propanoyl]piperidine-4-carboxylate
CID 53026908
N-methyl-3-(1-methyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)-N-propan-2-ylpropanamide
CID 78843860
N-butan-2-yl-N-methyl-3-(1-methyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)propanamide
CID 56684354
N-methyl-N-[(4-methylphenyl)methyl]-3-(1-methyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)propanamide
CID 38046514
ethyl 1-[4-(azepan-1-ylsulfonyl)phenyl]sulfonylpiperidine-4-carboxylate
CID 1167102
3-(1-methyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)-N-(oxan-3-yl)propanamide
CID 56559217
ethyl 1-[2-(2-chloro-5-piperidin-1-ylsulfonylbenzoyl)oxyacetyl]piperidine-4-carboxylate
CID 23882256
ethyl 1-(2-methyl-5-piperidin-1-ylsulfonylbenzoyl)piperidine-4-carboxylate
CID 4151785
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-3-(1-methyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)propanamide
CID 55621392
N-(3-hydroxypropyl)-3-(1-methyl-5-pyrrolidin-1-ylsulfonylbenzimidazol-2-yl)propanamide
CID 70708631

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[3-(1-methyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)propanoyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[3-(1-methyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)propanoyl]piperidine-4-carboxylate (CID 27554834) is ethyl 1-[3-(1-methyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)propanoyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[3-(1-methyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)propanoyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[3-(1-methyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)propanoyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)CCc2nc3cc(S(=O)(=O)N4CCCCC4)ccc3n2C)CC1.
What is the InChIKey of ethyl 1-[3-(1-methyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)propanoyl]piperidine-4-carboxylate?
The InChIKey is YNEPQMLEQZZUIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N4O5S/c1-3-33-24(30)18-11-15-27(16-12-18)23(29)10-9-22-25-20-17-19(7-8-21(20)26(22)2)34(31,32)28-13-5-4-6-14-28/h7-8,17-18H,3-6,9-16H2,1-2H3.
What are the key properties of ethyl 1-[3-(1-methyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)propanoyl]piperidine-4-carboxylate?
ethyl 1-[3-(1-methyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)propanoyl]piperidine-4-carboxylate has a molecular weight of 490.63 g/mol, XLogP of 2.48, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[3-(1-methyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)propanoyl]piperidine-4-carboxylate is sourced from PubChem (CID 27554834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).