N-butyl-N-methyl-1-[3-(4-morpholin-4-ylsulfonylphenyl)propanoyl]piperidine-4-carboxamide

C24H37N3O5S — CID 55950402

IUPACN-butyl-N-methyl-1-[3-(4-morpholin-4-ylsulfonylphenyl)propanoyl]piperidine-4-carboxamide
SMILESCCCCN(C)C(=O)C1CCN(C(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1
InChIInChI=1S/C24H37N3O5S/c1-3-4-13-25(2)24(29)21-11-14-26(15-12-21)23(28)10-7-20-5-8-22(9-6-20)33(30,31)27-16-18-32-19-17-27/h5-6,8-9,21H,3-4,7,10-19H2,1-2H3
InChIKeyLQTUWCPJNGGUBI-UHFFFAOYSA-N
MW479.64 g/mol
LogP2.14
Rot. Bonds9

About N-butyl-N-methyl-1-[3-(4-morpholin-4-ylsulfonylphenyl)propanoyl]piperidine-4-carboxamide

N-butyl-N-methyl-1-[3-(4-morpholin-4-ylsulfonylphenyl)propanoyl]piperidine-4-carboxamide (PubChem CID 55950402) has the molecular formula C24H37N3O5S and a molecular weight of 479.64 g/mol. Its IUPAC name is N-butyl-N-methyl-1-[3-(4-morpholin-4-ylsulfonylphenyl)propanoyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-butyl-N-methyl-1-[3-(4-morpholin-4-ylsulfonylphenyl)propanoyl]piperidine-4-carboxamide
PubChem CID55950402
Molecular FormulaC24H37N3O5S
Molecular Weight479.64 g/mol
Exact Mass479.25
IUPAC NameN-butyl-N-methyl-1-[3-(4-morpholin-4-ylsulfonylphenyl)propanoyl]piperidine-4-carboxamide
SMILESCCCCN(C)C(=O)C1CCN(C(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1
InChIInChI=1S/C24H37N3O5S/c1-3-4-13-25(2)24(29)21-11-14-26(15-12-21)23(28)10-7-20-5-8-22(9-6-20)33(30,31)27-16-18-32-19-17-27/h5-6,8-9,21H,3-4,7,10-19H2,1-2H3
InChIKeyLQTUWCPJNGGUBI-UHFFFAOYSA-N
XLogP2.14
TPSA87.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.64
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-[4-[butyl(methyl)carbamoyl]piperidin-1-yl]-3-oxopropyl]benzoic acid
CID 119181832
1-(4-ethoxypiperidin-1-yl)-3-(4-morpholin-4-ylsulfonylphenyl)propan-1-one
CID 55976461
N-butyl-1-(4-chlorophenyl)sulfonyl-N-methylpiperidine-4-carboxamide
CID 78798151
1-(1,3-benzodioxol-5-ylsulfonyl)-N-butyl-N-methylpiperidine-4-carboxamide
CID 113005716
N-butyl-1-[2-(4-fluorophenyl)acetyl]-N-methylpiperidine-4-carboxamide
CID 113005666
N-butyl-N-(1,1-dioxothiolan-3-yl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 55377281
N-methyl-1-[3-(4-pyrrolidin-1-ylsulfonylphenyl)propanoyl]piperidine-4-carboxamide
CID 30888733
4-(4-hexylphenyl)sulfonylmorpholine
CID 84557725
[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 3-(4-morpholin-4-ylsulfonylphenyl)propanoate
CID 55316309
N-butyl-1-[3-[(3,4-dimethylphenyl)sulfonylamino]propanoyl]-N-methylpiperidine-4-carboxamide
CID 55863577
N-butyl-1-[1-(4-fluorophenyl)sulfonylpiperidine-3-carbonyl]-N-methylpiperidine-4-carboxamide
CID 55836291
1-(4-aminopiperidin-1-yl)-3-[4-(azepan-1-ylsulfonyl)phenyl]propan-1-one
CID 119373424

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-methyl-1-[3-(4-morpholin-4-ylsulfonylphenyl)propanoyl]piperidine-4-carboxamide?
The IUPAC name of N-butyl-N-methyl-1-[3-(4-morpholin-4-ylsulfonylphenyl)propanoyl]piperidine-4-carboxamide (CID 55950402) is N-butyl-N-methyl-1-[3-(4-morpholin-4-ylsulfonylphenyl)propanoyl]piperidine-4-carboxamide.
What is the SMILES notation for N-butyl-N-methyl-1-[3-(4-morpholin-4-ylsulfonylphenyl)propanoyl]piperidine-4-carboxamide?
The canonical SMILES for N-butyl-N-methyl-1-[3-(4-morpholin-4-ylsulfonylphenyl)propanoyl]piperidine-4-carboxamide is CCCCN(C)C(=O)C1CCN(C(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1.
What is the InChIKey of N-butyl-N-methyl-1-[3-(4-morpholin-4-ylsulfonylphenyl)propanoyl]piperidine-4-carboxamide?
The InChIKey is LQTUWCPJNGGUBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37N3O5S/c1-3-4-13-25(2)24(29)21-11-14-26(15-12-21)23(28)10-7-20-5-8-22(9-6-20)33(30,31)27-16-18-32-19-17-27/h5-6,8-9,21H,3-4,7,10-19H2,1-2H3.
What are the key properties of N-butyl-N-methyl-1-[3-(4-morpholin-4-ylsulfonylphenyl)propanoyl]piperidine-4-carboxamide?
N-butyl-N-methyl-1-[3-(4-morpholin-4-ylsulfonylphenyl)propanoyl]piperidine-4-carboxamide has a molecular weight of 479.64 g/mol, XLogP of 2.14, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-methyl-1-[3-(4-morpholin-4-ylsulfonylphenyl)propanoyl]piperidine-4-carboxamide is sourced from PubChem (CID 55950402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).