3-piperidin-4-yl-N-[2-(propan-2-ylsulfamoyl)ethyl]butanamide

C14H29N3O3S — CID 119758906

IUPAC3-piperidin-4-yl-N-[2-(propan-2-ylsulfamoyl)ethyl]butanamide
SMILESCC(C)NS(=O)(=O)CCNC(=O)CC(C)C1CCNCC1
InChIInChI=1S/C14H29N3O3S/c1-11(2)17-21(19,20)9-8-16-14(18)10-12(3)13-4-6-15-7-5-13/h11-13,15,17H,4-10H2,1-3H3,(H,16,18)
InChIKeyACOBNXJHWIOKHP-UHFFFAOYSA-N
MW319.47 g/mol
LogP0.46
Rot. Bonds8

About 3-piperidin-4-yl-N-[2-(propan-2-ylsulfamoyl)ethyl]butanamide

3-piperidin-4-yl-N-[2-(propan-2-ylsulfamoyl)ethyl]butanamide (PubChem CID 119758906) has the molecular formula C14H29N3O3S and a molecular weight of 319.47 g/mol. Its IUPAC name is 3-piperidin-4-yl-N-[2-(propan-2-ylsulfamoyl)ethyl]butanamide.

Molecular Properties

Compound Name3-piperidin-4-yl-N-[2-(propan-2-ylsulfamoyl)ethyl]butanamide
PubChem CID119758906
Molecular FormulaC14H29N3O3S
Molecular Weight319.47 g/mol
Exact Mass319.19
IUPAC Name3-piperidin-4-yl-N-[2-(propan-2-ylsulfamoyl)ethyl]butanamide
SMILESCC(C)NS(=O)(=O)CCNC(=O)CC(C)C1CCNCC1
InChIInChI=1S/C14H29N3O3S/c1-11(2)17-21(19,20)9-8-16-14(18)10-12(3)13-4-6-15-7-5-13/h11-13,15,17H,4-10H2,1-3H3,(H,16,18)
InChIKeyACOBNXJHWIOKHP-UHFFFAOYSA-N
XLogP0.46
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.47
LogP ≤ 50.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methoxyethyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119669583
3-piperidin-4-yl-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]butanamide;hydrochloride
CID 119755229
methyl 4-(3-piperidin-4-ylbutanoylamino)butanoate
CID 119684765
N-(2,3-dimethylbutyl)-3-piperidin-4-ylbutanamide
CID 119796514
N-[3-(2-methoxyethoxy)propyl]-3-piperidin-4-ylbutanamide
CID 119693914
3-piperidin-4-yl-N-(2-piperidin-3-ylethyl)butanamide
CID 122080536
N-[2-(propan-2-ylsulfamoyl)ethyl]-2-pyrrolidin-2-ylacetamide
CID 119758912
N-(3-ethoxypropyl)-3-piperidin-4-ylbutanamide
CID 119675581
N-[3-(4-methylpiperazin-1-yl)propyl]-3-piperidin-4-ylbutanamide
CID 119901093
N-(2-ethylsulfonylethyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119773434
N-(cyclooctylmethyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119741883
N-(3-ethoxypropyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119675580

Frequently Asked Questions

What is the IUPAC name of 3-piperidin-4-yl-N-[2-(propan-2-ylsulfamoyl)ethyl]butanamide?
The IUPAC name of 3-piperidin-4-yl-N-[2-(propan-2-ylsulfamoyl)ethyl]butanamide (CID 119758906) is 3-piperidin-4-yl-N-[2-(propan-2-ylsulfamoyl)ethyl]butanamide.
What is the SMILES notation for 3-piperidin-4-yl-N-[2-(propan-2-ylsulfamoyl)ethyl]butanamide?
The canonical SMILES for 3-piperidin-4-yl-N-[2-(propan-2-ylsulfamoyl)ethyl]butanamide is CC(C)NS(=O)(=O)CCNC(=O)CC(C)C1CCNCC1.
What is the InChIKey of 3-piperidin-4-yl-N-[2-(propan-2-ylsulfamoyl)ethyl]butanamide?
The InChIKey is ACOBNXJHWIOKHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O3S/c1-11(2)17-21(19,20)9-8-16-14(18)10-12(3)13-4-6-15-7-5-13/h11-13,15,17H,4-10H2,1-3H3,(H,16,18).
What are the key properties of 3-piperidin-4-yl-N-[2-(propan-2-ylsulfamoyl)ethyl]butanamide?
3-piperidin-4-yl-N-[2-(propan-2-ylsulfamoyl)ethyl]butanamide has a molecular weight of 319.47 g/mol, XLogP of 0.46, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-4-yl-N-[2-(propan-2-ylsulfamoyl)ethyl]butanamide is sourced from PubChem (CID 119758906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).