1-butylsulfonyl-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]piperidine-4-carboxamide

C23H37N3O4S — CID 55899817

IUPAC1-butylsulfonyl-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]piperidine-4-carboxamide
SMILESCCCCS(=O)(=O)N1CCC(C(=O)NCC(c2ccc(C)cc2)N2CCOCC2)CC1
InChIInChI=1S/C23H37N3O4S/c1-3-4-17-31(28,29)26-11-9-21(10-12-26)23(27)24-18-22(25-13-15-30-16-14-25)20-7-5-19(2)6-8-20/h5-8,21-22H,3-4,9-18H2,1-2H3,(H,24,27)
InChIKeyNHPQSLKQBWHHFX-UHFFFAOYSA-N
MW451.63 g/mol
LogP2.33
Rot. Bonds9

About 1-butylsulfonyl-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]piperidine-4-carboxamide

1-butylsulfonyl-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]piperidine-4-carboxamide (PubChem CID 55899817) has the molecular formula C23H37N3O4S and a molecular weight of 451.63 g/mol. Its IUPAC name is 1-butylsulfonyl-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-butylsulfonyl-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]piperidine-4-carboxamide
PubChem CID55899817
Molecular FormulaC23H37N3O4S
Molecular Weight451.63 g/mol
Exact Mass451.25
IUPAC Name1-butylsulfonyl-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]piperidine-4-carboxamide
SMILESCCCCS(=O)(=O)N1CCC(C(=O)NCC(c2ccc(C)cc2)N2CCOCC2)CC1
InChIInChI=1S/C23H37N3O4S/c1-3-4-17-31(28,29)26-11-9-21(10-12-26)23(27)24-18-22(25-13-15-30-16-14-25)20-7-5-19(2)6-8-20/h5-8,21-22H,3-4,9-18H2,1-2H3,(H,24,27)
InChIKeyNHPQSLKQBWHHFX-UHFFFAOYSA-N
XLogP2.33
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.63
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]cyclohexanecarboxamide
CID 51630213
N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]butanamide;hydrochloride
CID 52984360
1-butylsulfonyl-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide
CID 113003547
N-(2-morpholin-4-yl-2-phenylethyl)cyclobutanecarboxamide
CID 42948395
N-(2-morpholin-4-yl-2-phenylethyl)cyclopentanecarboxamide
CID 42948396
2-amino-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]acetamide
CID 119859927
N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]propane-1-sulfonamide
CID 112503641
1-cyclopropyl-3-[(2R)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]urea
CID 51710229
1-(cyclopropanecarbonyl)-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]pyrrolidine-2-carboxamide
CID 55900196
3-amino-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride
CID 119859900
1-butylsulfonyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]piperidine-4-carboxamide
CID 47047056
4-methyl-N-[(2R)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 30834547

Frequently Asked Questions

What is the IUPAC name of 1-butylsulfonyl-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]piperidine-4-carboxamide?
The IUPAC name of 1-butylsulfonyl-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]piperidine-4-carboxamide (CID 55899817) is 1-butylsulfonyl-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-butylsulfonyl-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-butylsulfonyl-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]piperidine-4-carboxamide is CCCCS(=O)(=O)N1CCC(C(=O)NCC(c2ccc(C)cc2)N2CCOCC2)CC1.
What is the InChIKey of 1-butylsulfonyl-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]piperidine-4-carboxamide?
The InChIKey is NHPQSLKQBWHHFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H37N3O4S/c1-3-4-17-31(28,29)26-11-9-21(10-12-26)23(27)24-18-22(25-13-15-30-16-14-25)20-7-5-19(2)6-8-20/h5-8,21-22H,3-4,9-18H2,1-2H3,(H,24,27).
What are the key properties of 1-butylsulfonyl-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]piperidine-4-carboxamide?
1-butylsulfonyl-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]piperidine-4-carboxamide has a molecular weight of 451.63 g/mol, XLogP of 2.33, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butylsulfonyl-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]piperidine-4-carboxamide is sourced from PubChem (CID 55899817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).