1-(cyclopropanecarbonyl)-N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)piperidine-3-carboxamide

C23H33N3O5S — CID 55683607

IUPAC1-(cyclopropanecarbonyl)-N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)piperidine-3-carboxamide
SMILESCCOc1ccc(NC(=O)C2CCCN(C(=O)C3CC3)C2)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C23H33N3O5S/c1-2-31-20-11-10-19(15-21(20)32(29,30)26-13-4-3-5-14-26)24-22(27)18-7-6-12-25(16-18)23(28)17-8-9-17/h10-11,15,17-18H,2-9,12-14,16H2,1H3,(H,24,27)
InChIKeyVOSPBBGUQYLSHB-UHFFFAOYSA-N
MW463.60 g/mol
LogP2.85
Rot. Bonds7

About 1-(cyclopropanecarbonyl)-N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)piperidine-3-carboxamide

1-(cyclopropanecarbonyl)-N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)piperidine-3-carboxamide (PubChem CID 55683607) has the molecular formula C23H33N3O5S and a molecular weight of 463.60 g/mol. Its IUPAC name is 1-(cyclopropanecarbonyl)-N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(cyclopropanecarbonyl)-N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)piperidine-3-carboxamide
PubChem CID55683607
Molecular FormulaC23H33N3O5S
Molecular Weight463.60 g/mol
Exact Mass463.21
IUPAC Name1-(cyclopropanecarbonyl)-N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)piperidine-3-carboxamide
SMILESCCOc1ccc(NC(=O)C2CCCN(C(=O)C3CC3)C2)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C23H33N3O5S/c1-2-31-20-11-10-19(15-21(20)32(29,30)26-13-4-3-5-14-26)24-22(27)18-7-6-12-25(16-18)23(28)17-8-9-17/h10-11,15,17-18H,2-9,12-14,16H2,1H3,(H,24,27)
InChIKeyVOSPBBGUQYLSHB-UHFFFAOYSA-N
XLogP2.85
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.60
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)piperidine-4-carboxamide;hydrochloride
CID 119270305
N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)piperidine-3-carboxamide;hydrochloride
CID 119270317
(2S,4S)-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-2-methylpiperidine-4-carboxamide
CID 120618053
4-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-1-N,1-N-diethylpiperidine-1,4-dicarboxamide
CID 46446491
1-(2,2-dimethylpropanoyl)-N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)pyrrolidine-2-carboxamide
CID 55606432
N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 55445819
(3S)-1-(5-chloro-2-ethoxyphenyl)sulfonyl-N-(3,4-difluorophenyl)piperidine-3-carboxamide
CID 28550676
N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)morpholine-3-carboxamide
CID 119688738
1-(cyclopropanecarbonyl)-N-[3-(diethylsulfamoyl)-4-methylphenyl]piperidine-3-carboxamide
CID 55683159
(2S)-2-amino-N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)propanamide
CID 119270843
(2S,5R)-5-(aminomethyl)-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)oxolane-2-carboxamide
CID 120784202
3-amino-N-(4-ethoxy-3-morpholin-4-ylsulfonylphenyl)cyclopentane-1-carboxamide
CID 119693225

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropanecarbonyl)-N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)piperidine-3-carboxamide?
The IUPAC name of 1-(cyclopropanecarbonyl)-N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)piperidine-3-carboxamide (CID 55683607) is 1-(cyclopropanecarbonyl)-N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(cyclopropanecarbonyl)-N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(cyclopropanecarbonyl)-N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)piperidine-3-carboxamide is CCOc1ccc(NC(=O)C2CCCN(C(=O)C3CC3)C2)cc1S(=O)(=O)N1CCCCC1.
What is the InChIKey of 1-(cyclopropanecarbonyl)-N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)piperidine-3-carboxamide?
The InChIKey is VOSPBBGUQYLSHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O5S/c1-2-31-20-11-10-19(15-21(20)32(29,30)26-13-4-3-5-14-26)24-22(27)18-7-6-12-25(16-18)23(28)17-8-9-17/h10-11,15,17-18H,2-9,12-14,16H2,1H3,(H,24,27).
What are the key properties of 1-(cyclopropanecarbonyl)-N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)piperidine-3-carboxamide?
1-(cyclopropanecarbonyl)-N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)piperidine-3-carboxamide has a molecular weight of 463.60 g/mol, XLogP of 2.85, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropanecarbonyl)-N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)piperidine-3-carboxamide is sourced from PubChem (CID 55683607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).