N-[3-(3-methylpiperidin-1-yl)propyl]-4-morpholin-4-ylsulfonylbenzamide

C20H31N3O4S — CID 133189659

IUPACN-[3-(3-methylpiperidin-1-yl)propyl]-4-morpholin-4-ylsulfonylbenzamide
SMILESCC1CCCN(CCCNC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)C1
InChIInChI=1S/C20H31N3O4S/c1-17-4-2-10-22(16-17)11-3-9-21-20(24)18-5-7-19(8-6-18)28(25,26)23-12-14-27-15-13-23/h5-8,17H,2-4,9-16H2,1H3,(H,21,24)
InChIKeyNVHQMXRWQQHLAG-UHFFFAOYSA-N
MW409.55 g/mol
LogP1.56
Rot. Bonds7

About N-[3-(3-methylpiperidin-1-yl)propyl]-4-morpholin-4-ylsulfonylbenzamide

N-[3-(3-methylpiperidin-1-yl)propyl]-4-morpholin-4-ylsulfonylbenzamide (PubChem CID 133189659) has the molecular formula C20H31N3O4S and a molecular weight of 409.55 g/mol. Its IUPAC name is N-[3-(3-methylpiperidin-1-yl)propyl]-4-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[3-(3-methylpiperidin-1-yl)propyl]-4-morpholin-4-ylsulfonylbenzamide
PubChem CID133189659
Molecular FormulaC20H31N3O4S
Molecular Weight409.55 g/mol
Exact Mass409.20
IUPAC NameN-[3-(3-methylpiperidin-1-yl)propyl]-4-morpholin-4-ylsulfonylbenzamide
SMILESCC1CCCN(CCCNC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)C1
InChIInChI=1S/C20H31N3O4S/c1-17-4-2-10-22(16-17)11-3-9-21-20(24)18-5-7-19(8-6-18)28(25,26)23-12-14-27-15-13-23/h5-8,17H,2-4,9-16H2,1H3,(H,21,24)
InChIKeyNVHQMXRWQQHLAG-UHFFFAOYSA-N
XLogP1.56
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.55
LogP ≤ 51.56
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

N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]-3-morpholin-4-ylsulfonylbenzamide
CID 94119670
4-(4-methylpiperidin-1-yl)sulfonyl-N-(3-morpholin-4-ylpropyl)benzamide
CID 8884155
4-[(3-methylpiperidin-1-yl)methyl]-N-(3-morpholin-4-ylpropyl)benzamide
CID 43905022
2-chloro-N-[3-(3-methylpiperidin-1-yl)propyl]-5-pyrrolidin-1-ylsulfonylbenzamide
CID 42961781
4-morpholin-4-ylsulfonyl-N-nonylbenzamide
CID 46550002
N-hexyl-4-morpholin-4-ylsulfonylbenzamide
CID 26264686
2-chloro-N-[3-(3-methylpiperidin-1-yl)propyl]-5-piperidin-1-ylsulfonylbenzamide
CID 46387433
1-(4-methylphenyl)sulfonyl-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]piperidine-4-carboxamide
CID 100650018
N-[3-(3-methylpiperidin-1-yl)propyl]-5-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 50837043
3,4-dimethyl-N-[3-(3-methylpiperidin-1-yl)propyl]benzamide
CID 133264409
3,4-dimethyl-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]benzamide
CID 94119693
4-[[(3R)-3-methylpiperidin-1-yl]methyl]-N-(3-pyrrolidin-1-ylpropyl)benzamide
CID 94022373

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-methylpiperidin-1-yl)propyl]-4-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-[3-(3-methylpiperidin-1-yl)propyl]-4-morpholin-4-ylsulfonylbenzamide (CID 133189659) is N-[3-(3-methylpiperidin-1-yl)propyl]-4-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-[3-(3-methylpiperidin-1-yl)propyl]-4-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-[3-(3-methylpiperidin-1-yl)propyl]-4-morpholin-4-ylsulfonylbenzamide is CC1CCCN(CCCNC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)C1.
What is the InChIKey of N-[3-(3-methylpiperidin-1-yl)propyl]-4-morpholin-4-ylsulfonylbenzamide?
The InChIKey is NVHQMXRWQQHLAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O4S/c1-17-4-2-10-22(16-17)11-3-9-21-20(24)18-5-7-19(8-6-18)28(25,26)23-12-14-27-15-13-23/h5-8,17H,2-4,9-16H2,1H3,(H,21,24).
What are the key properties of N-[3-(3-methylpiperidin-1-yl)propyl]-4-morpholin-4-ylsulfonylbenzamide?
N-[3-(3-methylpiperidin-1-yl)propyl]-4-morpholin-4-ylsulfonylbenzamide has a molecular weight of 409.55 g/mol, XLogP of 1.56, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-methylpiperidin-1-yl)propyl]-4-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 133189659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).