4-amino-N-(1-benzylsulfonylpiperidin-4-yl)butanamide

C16H25N3O3S — CID 119330438

IUPAC4-amino-N-(1-benzylsulfonylpiperidin-4-yl)butanamide
SMILESNCCCC(=O)NC1CCN(S(=O)(=O)Cc2ccccc2)CC1
InChIInChI=1S/C16H25N3O3S/c17-10-4-7-16(20)18-15-8-11-19(12-9-15)23(21,22)13-14-5-2-1-3-6-14/h1-3,5-6,15H,4,7-13,17H2,(H,18,20)
InChIKeyJYJONEFDJRVKPK-UHFFFAOYSA-N
MW339.46 g/mol
LogP0.84
Rot. Bonds7

About 4-amino-N-(1-benzylsulfonylpiperidin-4-yl)butanamide

4-amino-N-(1-benzylsulfonylpiperidin-4-yl)butanamide (PubChem CID 119330438) has the molecular formula C16H25N3O3S and a molecular weight of 339.46 g/mol. Its IUPAC name is 4-amino-N-(1-benzylsulfonylpiperidin-4-yl)butanamide.

Molecular Properties

Compound Name4-amino-N-(1-benzylsulfonylpiperidin-4-yl)butanamide
PubChem CID119330438
Molecular FormulaC16H25N3O3S
Molecular Weight339.46 g/mol
Exact Mass339.16
IUPAC Name4-amino-N-(1-benzylsulfonylpiperidin-4-yl)butanamide
SMILESNCCCC(=O)NC1CCN(S(=O)(=O)Cc2ccccc2)CC1
InChIInChI=1S/C16H25N3O3S/c17-10-4-7-16(20)18-15-8-11-19(12-9-15)23(21,22)13-14-5-2-1-3-6-14/h1-3,5-6,15H,4,7-13,17H2,(H,18,20)
InChIKeyJYJONEFDJRVKPK-UHFFFAOYSA-N
XLogP0.84
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-(1-benzylsulfonylpiperidin-4-yl)butanamide;hydrochloride
CID 119330437
4-amino-N-(1-benzylpiperidin-4-yl)butanamide;dihydrochloride
CID 119827625
N-(1-ethylsulfonylpiperidin-4-yl)-3-phenylpropanamide
CID 33220250
4-amino-N-(1-phenylpiperidin-4-yl)butanamide
CID 119863037
1-(1-benzylsulfonylpiperidin-4-yl)-3-propan-2-ylurea
CID 110823299
N-(1-butylsulfonylpiperidin-4-yl)-3-phenylpropanamide
CID 108561858
N-(1-benzylsulfonylpiperidin-4-yl)-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119795840
(1-benzylsulfonylpiperidin-4-yl)methanamine
CID 43605269
4-amino-N-(4-phenylcyclohexyl)butanamide
CID 43699336
4-amino-N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]butanamide;dihydrochloride
CID 119840358
2-(1-benzylsulfonylpiperidin-4-yl)-N-hydroxyacetamide
CID 54583088
5-[(1-ethylsulfonylpiperidin-4-yl)amino]-5-oxopentanoic acid
CID 60942022

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(1-benzylsulfonylpiperidin-4-yl)butanamide?
The IUPAC name of 4-amino-N-(1-benzylsulfonylpiperidin-4-yl)butanamide (CID 119330438) is 4-amino-N-(1-benzylsulfonylpiperidin-4-yl)butanamide.
What is the SMILES notation for 4-amino-N-(1-benzylsulfonylpiperidin-4-yl)butanamide?
The canonical SMILES for 4-amino-N-(1-benzylsulfonylpiperidin-4-yl)butanamide is NCCCC(=O)NC1CCN(S(=O)(=O)Cc2ccccc2)CC1.
What is the InChIKey of 4-amino-N-(1-benzylsulfonylpiperidin-4-yl)butanamide?
The InChIKey is JYJONEFDJRVKPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3S/c17-10-4-7-16(20)18-15-8-11-19(12-9-15)23(21,22)13-14-5-2-1-3-6-14/h1-3,5-6,15H,4,7-13,17H2,(H,18,20).
What are the key properties of 4-amino-N-(1-benzylsulfonylpiperidin-4-yl)butanamide?
4-amino-N-(1-benzylsulfonylpiperidin-4-yl)butanamide has a molecular weight of 339.46 g/mol, XLogP of 0.84, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(1-benzylsulfonylpiperidin-4-yl)butanamide is sourced from PubChem (CID 119330438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).