1-(2-chloro-4-morpholin-4-ylsulfonylphenyl)-N-(2-methylpropyl)piperidine-4-carboxamide

C20H30ClN3O4S — CID 650157

IUPAC1-(2-chloro-4-morpholin-4-ylsulfonylphenyl)-N-(2-methylpropyl)piperidine-4-carboxamide
SMILESCC(C)CNC(=O)C1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2Cl)CC1
InChIInChI=1S/C20H30ClN3O4S/c1-15(2)14-22-20(25)16-5-7-23(8-6-16)19-4-3-17(13-18(19)21)29(26,27)24-9-11-28-12-10-24/h3-4,13,15-16H,5-12,14H2,1-2H3,(H,22,25)
InChIKeyMGOHCUFEHZCBPN-UHFFFAOYSA-N
MW444.00 g/mol
LogP2.35
Rot. Bonds6

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

1-(2-chloro-4-morpholin-4-ylsulfonylphenyl)-N-(2-methylpropyl)piperidine-4-carboxamide (PubChem CID 650157) has the molecular formula C20H30ClN3O4S and a molecular weight of 444.00 g/mol. Its IUPAC name is 1-(2-chloro-4-morpholin-4-ylsulfonylphenyl)-N-(2-methylpropyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-chloro-4-morpholin-4-ylsulfonylphenyl)-N-(2-methylpropyl)piperidine-4-carboxamide
PubChem CID650157
Molecular FormulaC20H30ClN3O4S
Molecular Weight444.00 g/mol
Exact Mass443.16
IUPAC Name1-(2-chloro-4-morpholin-4-ylsulfonylphenyl)-N-(2-methylpropyl)piperidine-4-carboxamide
SMILESCC(C)CNC(=O)C1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2Cl)CC1
InChIInChI=1S/C20H30ClN3O4S/c1-15(2)14-22-20(25)16-5-7-23(8-6-16)19-4-3-17(13-18(19)21)29(26,27)24-9-11-28-12-10-24/h3-4,13,15-16H,5-12,14H2,1-2H3,(H,22,25)
InChIKeyMGOHCUFEHZCBPN-UHFFFAOYSA-N
XLogP2.35
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.00
LogP ≤ 52.35
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-(2-methylpropyl)piperidine-4-carboxamide?
The IUPAC name of 1-(2-chloro-4-morpholin-4-ylsulfonylphenyl)-N-(2-methylpropyl)piperidine-4-carboxamide (CID 650157) is 1-(2-chloro-4-morpholin-4-ylsulfonylphenyl)-N-(2-methylpropyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(2-chloro-4-morpholin-4-ylsulfonylphenyl)-N-(2-methylpropyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(2-chloro-4-morpholin-4-ylsulfonylphenyl)-N-(2-methylpropyl)piperidine-4-carboxamide is CC(C)CNC(=O)C1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2Cl)CC1.
What is the InChIKey of 1-(2-chloro-4-morpholin-4-ylsulfonylphenyl)-N-(2-methylpropyl)piperidine-4-carboxamide?
The InChIKey is MGOHCUFEHZCBPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30ClN3O4S/c1-15(2)14-22-20(25)16-5-7-23(8-6-16)19-4-3-17(13-18(19)21)29(26,27)24-9-11-28-12-10-24/h3-4,13,15-16H,5-12,14H2,1-2H3,(H,22,25).
What are the key properties of 1-(2-chloro-4-morpholin-4-ylsulfonylphenyl)-N-(2-methylpropyl)piperidine-4-carboxamide?
1-(2-chloro-4-morpholin-4-ylsulfonylphenyl)-N-(2-methylpropyl)piperidine-4-carboxamide has a molecular weight of 444.00 g/mol, XLogP of 2.35, 6 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-(2-methylpropyl)piperidine-4-carboxamide is sourced from PubChem (CID 650157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).