N-[3-[benzyl(butyl)amino]propyl]-1-morpholin-4-ylsulfonylpiperidine-4-carboxamide

C24H40N4O4S — CID 3236138

IUPACN-[3-[benzyl(butyl)amino]propyl]-1-morpholin-4-ylsulfonylpiperidine-4-carboxamide
SMILESCCCCN(CCCNC(=O)C1CCN(S(=O)(=O)N2CCOCC2)CC1)Cc1ccccc1
InChIInChI=1S/C24H40N4O4S/c1-2-3-13-26(21-22-8-5-4-6-9-22)14-7-12-25-24(29)23-10-15-27(16-11-23)33(30,31)28-17-19-32-20-18-28/h4-6,8-9,23H,2-3,7,10-21H2,1H3,(H,25,29)
InChIKeyNWBRGGBCZNAIGB-UHFFFAOYSA-N
MW480.68 g/mol
LogP2.08
Rot. Bonds12

About N-[3-[benzyl(butyl)amino]propyl]-1-morpholin-4-ylsulfonylpiperidine-4-carboxamide

N-[3-[benzyl(butyl)amino]propyl]-1-morpholin-4-ylsulfonylpiperidine-4-carboxamide (PubChem CID 3236138) has the molecular formula C24H40N4O4S and a molecular weight of 480.68 g/mol. Its IUPAC name is N-[3-[benzyl(butyl)amino]propyl]-1-morpholin-4-ylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-[benzyl(butyl)amino]propyl]-1-morpholin-4-ylsulfonylpiperidine-4-carboxamide
PubChem CID3236138
Molecular FormulaC24H40N4O4S
Molecular Weight480.68 g/mol
Exact Mass480.28
IUPAC NameN-[3-[benzyl(butyl)amino]propyl]-1-morpholin-4-ylsulfonylpiperidine-4-carboxamide
SMILESCCCCN(CCCNC(=O)C1CCN(S(=O)(=O)N2CCOCC2)CC1)Cc1ccccc1
InChIInChI=1S/C24H40N4O4S/c1-2-3-13-26(21-22-8-5-4-6-9-22)14-7-12-25-24(29)23-10-15-27(16-11-23)33(30,31)28-17-19-32-20-18-28/h4-6,8-9,23H,2-3,7,10-21H2,1H3,(H,25,29)
InChIKeyNWBRGGBCZNAIGB-UHFFFAOYSA-N
XLogP2.08
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.68
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(3S)-N-[3-(4-benzylpiperidin-1-yl)propyl]-1-morpholin-4-ylsulfonylpiperidine-3-carboxamide
CID 92686982
N-butyl-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide
CID 3283449
N-[3-[benzyl(methyl)amino]propyl]-1-(cyclopropanecarbonyl)piperidine-4-carboxamide
CID 55529899
N-(3-benzylsulfanylpropyl)-1-methylsulfonylpiperidine-4-carboxamide
CID 56920016
1-benzyl-N-pentylpiperidine-4-carboxamide
CID 45011479
N-[3-[benzyl(methyl)amino]propyl]cyclopentanecarboxamide
CID 110461342
4-N-benzyl-1-N-pentyl-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide
CID 109149705
1-(2-fluorophenyl)sulfonyl-N-nonylpiperidine-4-carboxamide
CID 46549939
N-[3-[benzyl(ethyl)amino]propyl]-1-(6-phenylpyridazin-3-yl)piperidine-4-carboxamide
CID 53025177
1-(benzylcarbamothioyl)-N-pentylpiperidine-4-carboxamide
CID 43076523
1-(2,2-diphenylacetyl)-N-pentylpiperidine-4-carboxamide
CID 113005595
N-(2-morpholin-4-ylethyl)-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide
CID 3448160

Frequently Asked Questions

What is the IUPAC name of N-[3-[benzyl(butyl)amino]propyl]-1-morpholin-4-ylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[3-[benzyl(butyl)amino]propyl]-1-morpholin-4-ylsulfonylpiperidine-4-carboxamide (CID 3236138) is N-[3-[benzyl(butyl)amino]propyl]-1-morpholin-4-ylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[3-[benzyl(butyl)amino]propyl]-1-morpholin-4-ylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[3-[benzyl(butyl)amino]propyl]-1-morpholin-4-ylsulfonylpiperidine-4-carboxamide is CCCCN(CCCNC(=O)C1CCN(S(=O)(=O)N2CCOCC2)CC1)Cc1ccccc1.
What is the InChIKey of N-[3-[benzyl(butyl)amino]propyl]-1-morpholin-4-ylsulfonylpiperidine-4-carboxamide?
The InChIKey is NWBRGGBCZNAIGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H40N4O4S/c1-2-3-13-26(21-22-8-5-4-6-9-22)14-7-12-25-24(29)23-10-15-27(16-11-23)33(30,31)28-17-19-32-20-18-28/h4-6,8-9,23H,2-3,7,10-21H2,1H3,(H,25,29).
What are the key properties of N-[3-[benzyl(butyl)amino]propyl]-1-morpholin-4-ylsulfonylpiperidine-4-carboxamide?
N-[3-[benzyl(butyl)amino]propyl]-1-morpholin-4-ylsulfonylpiperidine-4-carboxamide has a molecular weight of 480.68 g/mol, XLogP of 2.08, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[benzyl(butyl)amino]propyl]-1-morpholin-4-ylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 3236138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).