N-(4-ethylsulfanylbutan-2-yl)-3-piperidin-3-ylbutanamide;hydrochloride

C15H31ClN2OS — CID 119791054

IUPACN-(4-ethylsulfanylbutan-2-yl)-3-piperidin-3-ylbutanamide;hydrochloride
SMILESCCSCCC(C)NC(=O)CC(C)C1CCCNC1.Cl
InChIInChI=1S/C15H30N2OS.ClH/c1-4-19-9-7-13(3)17-15(18)10-12(2)14-6-5-8-16-11-14;/h12-14,16H,4-11H2,1-3H3,(H,17,18);1H
InChIKeyUOERKEFHTAENJJ-UHFFFAOYSA-N
MW322.95 g/mol
LogP3.08
Rot. Bonds8

About N-(4-ethylsulfanylbutan-2-yl)-3-piperidin-3-ylbutanamide;hydrochloride

N-(4-ethylsulfanylbutan-2-yl)-3-piperidin-3-ylbutanamide;hydrochloride (PubChem CID 119791054) has the molecular formula C15H31ClN2OS and a molecular weight of 322.95 g/mol. Its IUPAC name is N-(4-ethylsulfanylbutan-2-yl)-3-piperidin-3-ylbutanamide;hydrochloride.

Molecular Properties

Compound NameN-(4-ethylsulfanylbutan-2-yl)-3-piperidin-3-ylbutanamide;hydrochloride
PubChem CID119791054
Molecular FormulaC15H31ClN2OS
Molecular Weight322.95 g/mol
Exact Mass322.18
IUPAC NameN-(4-ethylsulfanylbutan-2-yl)-3-piperidin-3-ylbutanamide;hydrochloride
SMILESCCSCCC(C)NC(=O)CC(C)C1CCCNC1.Cl
InChIInChI=1S/C15H30N2OS.ClH/c1-4-19-9-7-13(3)17-15(18)10-12(2)14-6-5-8-16-11-14;/h12-14,16H,4-11H2,1-3H3,(H,17,18);1H
InChIKeyUOERKEFHTAENJJ-UHFFFAOYSA-N
XLogP3.08
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.95
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-hexan-3-yl-3-piperidin-3-ylbutanamide;hydrochloride
CID 119757674
N-(3-ethylpentan-2-yl)-3-piperidin-3-ylbutanamide
CID 81043690
N-[1-(ethylamino)-1-oxopropan-2-yl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119690780
(2R)-2-(3-piperidin-3-ylbutanoylamino)butanoic acid
CID 81044692
N-[2-(2-methylpropanoylamino)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119687970
(2S)-4-hydroxy-2-(3-piperidin-3-ylbutanoylamino)butanoic acid
CID 107824927
3-piperidin-3-ylbutanoic acid
CID 71691534
(3S)-3-[(3S)-piperidin-3-yl]butanoic acid
CID 95732451
N-[1-(dimethylamino)-1-oxopropan-2-yl]-3-piperidin-3-ylbutanamide
CID 81043922
N-(1,1-dimethoxypropan-2-yl)-3-piperidin-3-ylbutanamide
CID 81043605
N-butyl-3-piperidin-3-ylbutanamide;hydrochloride
CID 119671850
N-(1-phenylpropyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119705827

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylsulfanylbutan-2-yl)-3-piperidin-3-ylbutanamide;hydrochloride?
The IUPAC name of N-(4-ethylsulfanylbutan-2-yl)-3-piperidin-3-ylbutanamide;hydrochloride (CID 119791054) is N-(4-ethylsulfanylbutan-2-yl)-3-piperidin-3-ylbutanamide;hydrochloride.
What is the SMILES notation for N-(4-ethylsulfanylbutan-2-yl)-3-piperidin-3-ylbutanamide;hydrochloride?
The canonical SMILES for N-(4-ethylsulfanylbutan-2-yl)-3-piperidin-3-ylbutanamide;hydrochloride is CCSCCC(C)NC(=O)CC(C)C1CCCNC1.Cl.
What is the InChIKey of N-(4-ethylsulfanylbutan-2-yl)-3-piperidin-3-ylbutanamide;hydrochloride?
The InChIKey is UOERKEFHTAENJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2OS.ClH/c1-4-19-9-7-13(3)17-15(18)10-12(2)14-6-5-8-16-11-14;/h12-14,16H,4-11H2,1-3H3,(H,17,18);1H.
What are the key properties of N-(4-ethylsulfanylbutan-2-yl)-3-piperidin-3-ylbutanamide;hydrochloride?
N-(4-ethylsulfanylbutan-2-yl)-3-piperidin-3-ylbutanamide;hydrochloride has a molecular weight of 322.95 g/mol, XLogP of 3.08, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylsulfanylbutan-2-yl)-3-piperidin-3-ylbutanamide;hydrochloride is sourced from PubChem (CID 119791054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).