1-(cyclopropanecarbonyl)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)pyrrolidine-2-carboxamide

C21H29N3O5S — CID 55630523

IUPAC1-(cyclopropanecarbonyl)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)pyrrolidine-2-carboxamide
SMILESCOc1ccc(NC(=O)C2CCCN2C(=O)C2CC2)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C21H29N3O5S/c1-29-18-10-9-16(14-19(18)30(27,28)23-11-3-2-4-12-23)22-20(25)17-6-5-13-24(17)21(26)15-7-8-15/h9-10,14-15,17H,2-8,11-13H2,1H3,(H,22,25)
InChIKeyCGIRZSPSQDKQAY-UHFFFAOYSA-N
MW435.55 g/mol
LogP2.21
Rot. Bonds6

About 1-(cyclopropanecarbonyl)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)pyrrolidine-2-carboxamide

1-(cyclopropanecarbonyl)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)pyrrolidine-2-carboxamide (PubChem CID 55630523) has the molecular formula C21H29N3O5S and a molecular weight of 435.55 g/mol. Its IUPAC name is 1-(cyclopropanecarbonyl)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(cyclopropanecarbonyl)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)pyrrolidine-2-carboxamide
PubChem CID55630523
Molecular FormulaC21H29N3O5S
Molecular Weight435.55 g/mol
Exact Mass435.18
IUPAC Name1-(cyclopropanecarbonyl)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)pyrrolidine-2-carboxamide
SMILESCOc1ccc(NC(=O)C2CCCN2C(=O)C2CC2)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C21H29N3O5S/c1-29-18-10-9-16(14-19(18)30(27,28)23-11-3-2-4-12-23)22-20(25)17-6-5-13-24(17)21(26)15-7-8-15/h9-10,14-15,17H,2-8,11-13H2,1H3,(H,22,25)
InChIKeyCGIRZSPSQDKQAY-UHFFFAOYSA-N
XLogP2.21
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.55
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,2-dimethylpropanoyl)-N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)pyrrolidine-2-carboxamide
CID 55606432
N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)propanamide
CID 26851836
(3S)-1-(benzenesulfonyl)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)piperidine-3-carboxamide
CID 100660535
1-tert-butyl-3-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)urea
CID 4803267
1-(cyclopropanecarbonyl)-N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)piperidine-3-carboxamide
CID 55683607
N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 38010763
trans-(1R,2S)-N-(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)-2-propan-2-ylcyclopropane-1-carboxamide
CID 167767814
1-(cyclopropanecarbonyl)-N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)pyrrolidine-2-carboxamide
CID 55630754
(4S)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-3-[(2R)-2-methylbutanoyl]-1,3-thiazolidine-4-carboxamide
CID 52533355
(E)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)but-2-enamide
CID 6212937
N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-(methylamino)acetamide
CID 119677452
3,4-dimethoxy-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)benzamide
CID 26174301

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropanecarbonyl)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-(cyclopropanecarbonyl)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)pyrrolidine-2-carboxamide (CID 55630523) is 1-(cyclopropanecarbonyl)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(cyclopropanecarbonyl)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(cyclopropanecarbonyl)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)pyrrolidine-2-carboxamide is COc1ccc(NC(=O)C2CCCN2C(=O)C2CC2)cc1S(=O)(=O)N1CCCCC1.
What is the InChIKey of 1-(cyclopropanecarbonyl)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)pyrrolidine-2-carboxamide?
The InChIKey is CGIRZSPSQDKQAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O5S/c1-29-18-10-9-16(14-19(18)30(27,28)23-11-3-2-4-12-23)22-20(25)17-6-5-13-24(17)21(26)15-7-8-15/h9-10,14-15,17H,2-8,11-13H2,1H3,(H,22,25).
What are the key properties of 1-(cyclopropanecarbonyl)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)pyrrolidine-2-carboxamide?
1-(cyclopropanecarbonyl)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)pyrrolidine-2-carboxamide has a molecular weight of 435.55 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropanecarbonyl)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 55630523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).