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

C23H32N4O5S — CID 53026908

IUPACethyl 1-[3-(5-piperidin-1-ylsulfonylbenzimidazol-1-yl)propanoyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)CCn2cnc3cc(S(=O)(=O)N4CCCCC4)ccc32)CC1
InChIInChI=1S/C23H32N4O5S/c1-2-32-23(29)18-8-13-25(14-9-18)22(28)10-15-26-17-24-20-16-19(6-7-21(20)26)33(30,31)27-11-4-3-5-12-27/h6-7,16-18H,2-5,8-15H2,1H3
InChIKeyHSBWCMFMPGYLPW-UHFFFAOYSA-N
MW476.60 g/mol
LogP2.40
Rot. Bonds7

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

ethyl 1-[3-(5-piperidin-1-ylsulfonylbenzimidazol-1-yl)propanoyl]piperidine-4-carboxylate (PubChem CID 53026908) has the molecular formula C23H32N4O5S and a molecular weight of 476.60 g/mol. Its IUPAC name is ethyl 1-[3-(5-piperidin-1-ylsulfonylbenzimidazol-1-yl)propanoyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[3-(5-piperidin-1-ylsulfonylbenzimidazol-1-yl)propanoyl]piperidine-4-carboxylate
PubChem CID53026908
Molecular FormulaC23H32N4O5S
Molecular Weight476.60 g/mol
Exact Mass476.21
IUPAC Nameethyl 1-[3-(5-piperidin-1-ylsulfonylbenzimidazol-1-yl)propanoyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)CCn2cnc3cc(S(=O)(=O)N4CCCCC4)ccc32)CC1
InChIInChI=1S/C23H32N4O5S/c1-2-32-23(29)18-8-13-25(14-9-18)22(28)10-15-26-17-24-20-16-19(6-7-21(20)26)33(30,31)27-11-4-3-5-12-27/h6-7,16-18H,2-5,8-15H2,1H3
InChIKeyHSBWCMFMPGYLPW-UHFFFAOYSA-N
XLogP2.40
TPSA101.81 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.60
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 1-[3-(1-methyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)propanoyl]piperidine-4-carboxylate
CID 27554834
ethyl 1-[4-(azepan-1-ylsulfonyl)phenyl]sulfonylpiperidine-4-carboxylate
CID 1167102
ethyl 3-[3-(5-pyrrolidin-1-ylsulfonylbenzimidazol-1-yl)propanoylamino]benzoate
CID 53064019
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-methoxypropyl)-3-(5-piperidin-1-ylsulfonylbenzimidazol-1-yl)propanamide
CID 53064294
ethyl 4-[3-(1-methyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)propanoyl]piperazine-1-carboxylate
CID 43002313
ethyl (3S)-1-[3-(2-oxo-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)propanoyl]piperidine-3-carboxylate
CID 26644115
ethyl 4-(1-methylbenzimidazol-5-yl)sulfonylpiperazine-1-carboxylate
CID 110818643
N-(2,3-dimethylphenyl)-3-(5-pyrrolidin-1-ylsulfonylbenzimidazol-1-yl)propanamide
CID 53064017
5-(azepan-1-ylsulfonyl)-1-methylbenzimidazole
CID 110760298
N-(3-fluorophenyl)-3-(5-piperidin-1-ylsulfonylbenzimidazol-1-yl)propanamide
CID 53064265

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[3-(5-piperidin-1-ylsulfonylbenzimidazol-1-yl)propanoyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[3-(5-piperidin-1-ylsulfonylbenzimidazol-1-yl)propanoyl]piperidine-4-carboxylate (CID 53026908) is ethyl 1-[3-(5-piperidin-1-ylsulfonylbenzimidazol-1-yl)propanoyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[3-(5-piperidin-1-ylsulfonylbenzimidazol-1-yl)propanoyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[3-(5-piperidin-1-ylsulfonylbenzimidazol-1-yl)propanoyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)CCn2cnc3cc(S(=O)(=O)N4CCCCC4)ccc32)CC1.
What is the InChIKey of ethyl 1-[3-(5-piperidin-1-ylsulfonylbenzimidazol-1-yl)propanoyl]piperidine-4-carboxylate?
The InChIKey is HSBWCMFMPGYLPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O5S/c1-2-32-23(29)18-8-13-25(14-9-18)22(28)10-15-26-17-24-20-16-19(6-7-21(20)26)33(30,31)27-11-4-3-5-12-27/h6-7,16-18H,2-5,8-15H2,1H3.
What are the key properties of ethyl 1-[3-(5-piperidin-1-ylsulfonylbenzimidazol-1-yl)propanoyl]piperidine-4-carboxylate?
ethyl 1-[3-(5-piperidin-1-ylsulfonylbenzimidazol-1-yl)propanoyl]piperidine-4-carboxylate has a molecular weight of 476.60 g/mol, XLogP of 2.40, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[3-(5-piperidin-1-ylsulfonylbenzimidazol-1-yl)propanoyl]piperidine-4-carboxylate is sourced from PubChem (CID 53026908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).