1-(2-chloro-4-morpholin-4-ylsulfonylphenyl)-N-cyclopropylpiperidine-4-carboxamide

C19H26ClN3O4S — CID 651345

IUPAC1-(2-chloro-4-morpholin-4-ylsulfonylphenyl)-N-cyclopropylpiperidine-4-carboxamide
SMILESO=C(NC1CC1)C1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2Cl)CC1
InChIInChI=1S/C19H26ClN3O4S/c20-17-13-16(28(25,26)23-9-11-27-12-10-23)3-4-18(17)22-7-5-14(6-8-22)19(24)21-15-1-2-15/h3-4,13-15H,1-2,5-12H2,(H,21,24)
InChIKeyPCADTDHEXZUWOL-UHFFFAOYSA-N
MW427.95 g/mol
LogP1.86
Rot. Bonds5

About 1-(2-chloro-4-morpholin-4-ylsulfonylphenyl)-N-cyclopropylpiperidine-4-carboxamide

1-(2-chloro-4-morpholin-4-ylsulfonylphenyl)-N-cyclopropylpiperidine-4-carboxamide (PubChem CID 651345) has the molecular formula C19H26ClN3O4S and a molecular weight of 427.95 g/mol. Its IUPAC name is 1-(2-chloro-4-morpholin-4-ylsulfonylphenyl)-N-cyclopropylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-chloro-4-morpholin-4-ylsulfonylphenyl)-N-cyclopropylpiperidine-4-carboxamide
PubChem CID651345
Molecular FormulaC19H26ClN3O4S
Molecular Weight427.95 g/mol
Exact Mass427.13
IUPAC Name1-(2-chloro-4-morpholin-4-ylsulfonylphenyl)-N-cyclopropylpiperidine-4-carboxamide
SMILESO=C(NC1CC1)C1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2Cl)CC1
InChIInChI=1S/C19H26ClN3O4S/c20-17-13-16(28(25,26)23-9-11-27-12-10-23)3-4-18(17)22-7-5-14(6-8-22)19(24)21-15-1-2-15/h3-4,13-15H,1-2,5-12H2,(H,21,24)
InChIKeyPCADTDHEXZUWOL-UHFFFAOYSA-N
XLogP1.86
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.95
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-morpholin-4-ylsulfonylphenyl)-N-cyclopropylpiperidine-4-carboxamide?
The IUPAC name of 1-(2-chloro-4-morpholin-4-ylsulfonylphenyl)-N-cyclopropylpiperidine-4-carboxamide (CID 651345) is 1-(2-chloro-4-morpholin-4-ylsulfonylphenyl)-N-cyclopropylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(2-chloro-4-morpholin-4-ylsulfonylphenyl)-N-cyclopropylpiperidine-4-carboxamide?
The canonical SMILES for 1-(2-chloro-4-morpholin-4-ylsulfonylphenyl)-N-cyclopropylpiperidine-4-carboxamide is O=C(NC1CC1)C1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2Cl)CC1.
What is the InChIKey of 1-(2-chloro-4-morpholin-4-ylsulfonylphenyl)-N-cyclopropylpiperidine-4-carboxamide?
The InChIKey is PCADTDHEXZUWOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26ClN3O4S/c20-17-13-16(28(25,26)23-9-11-27-12-10-23)3-4-18(17)22-7-5-14(6-8-22)19(24)21-15-1-2-15/h3-4,13-15H,1-2,5-12H2,(H,21,24).
What are the key properties of 1-(2-chloro-4-morpholin-4-ylsulfonylphenyl)-N-cyclopropylpiperidine-4-carboxamide?
1-(2-chloro-4-morpholin-4-ylsulfonylphenyl)-N-cyclopropylpiperidine-4-carboxamide has a molecular weight of 427.95 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-morpholin-4-ylsulfonylphenyl)-N-cyclopropylpiperidine-4-carboxamide is sourced from PubChem (CID 651345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).