N-(2-ethylsulfanylcyclopentyl)-3-piperidin-4-ylbutanamide;hydrochloride

C16H31ClN2OS — CID 119818870

IUPACN-(2-ethylsulfanylcyclopentyl)-3-piperidin-4-ylbutanamide;hydrochloride
SMILESCCSC1CCCC1NC(=O)CC(C)C1CCNCC1.Cl
InChIInChI=1S/C16H30N2OS.ClH/c1-3-20-15-6-4-5-14(15)18-16(19)11-12(2)13-7-9-17-10-8-13;/h12-15,17H,3-11H2,1-2H3,(H,18,19);1H
InChIKeyLXKIVCITRWNHCO-UHFFFAOYSA-N
MW334.96 g/mol
LogP3.22
Rot. Bonds6

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

N-(2-ethylsulfanylcyclopentyl)-3-piperidin-4-ylbutanamide;hydrochloride (PubChem CID 119818870) has the molecular formula C16H31ClN2OS and a molecular weight of 334.96 g/mol. Its IUPAC name is N-(2-ethylsulfanylcyclopentyl)-3-piperidin-4-ylbutanamide;hydrochloride.

Molecular Properties

Compound NameN-(2-ethylsulfanylcyclopentyl)-3-piperidin-4-ylbutanamide;hydrochloride
PubChem CID119818870
Molecular FormulaC16H31ClN2OS
Molecular Weight334.96 g/mol
Exact Mass334.18
IUPAC NameN-(2-ethylsulfanylcyclopentyl)-3-piperidin-4-ylbutanamide;hydrochloride
SMILESCCSC1CCCC1NC(=O)CC(C)C1CCNCC1.Cl
InChIInChI=1S/C16H30N2OS.ClH/c1-3-20-15-6-4-5-14(15)18-16(19)11-12(2)13-7-9-17-10-8-13;/h12-15,17H,3-11H2,1-2H3,(H,18,19);1H
InChIKeyLXKIVCITRWNHCO-UHFFFAOYSA-N
XLogP3.22
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.96
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-ethylsulfanylcyclopentyl)-2-piperidin-4-ylacetamide;hydrochloride
CID 119818862
N-cyclobutyl-3-piperidin-4-ylbutanamide;hydrochloride
CID 119726928
3-piperidin-4-yl-N-(3-propan-2-ylcyclohexyl)butanamide;hydrochloride
CID 119775867
2-amino-N-(2-ethylsulfanylcyclopentyl)-3-methylbutanamide;hydrochloride
CID 119343710
N-(2-ethylsulfanylcyclopentyl)-4-methylpiperidine-4-carboxamide
CID 103840385
2-amino-N-(2-ethylsulfanylcyclohexyl)propanamide;hydrochloride
CID 119337965
(2R)-2-amino-N-(2-ethylsulfanylcyclohexyl)propanamide;hydrochloride
CID 119337969
N-(3-ethoxyspiro[3.3]heptan-1-yl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119803504
N-(cyclooctylmethyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119741883
2-amino-N-(2-ethylsulfanylcyclohexyl)acetamide
CID 119337962
3-amino-N-(2-ethylsulfanylcyclopentyl)-2-methylbutanamide
CID 103581059
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-ethylsulfanylcyclopentyl)acetamide
CID 103812899

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylsulfanylcyclopentyl)-3-piperidin-4-ylbutanamide;hydrochloride?
The IUPAC name of N-(2-ethylsulfanylcyclopentyl)-3-piperidin-4-ylbutanamide;hydrochloride (CID 119818870) is N-(2-ethylsulfanylcyclopentyl)-3-piperidin-4-ylbutanamide;hydrochloride.
What is the SMILES notation for N-(2-ethylsulfanylcyclopentyl)-3-piperidin-4-ylbutanamide;hydrochloride?
The canonical SMILES for N-(2-ethylsulfanylcyclopentyl)-3-piperidin-4-ylbutanamide;hydrochloride is CCSC1CCCC1NC(=O)CC(C)C1CCNCC1.Cl.
What is the InChIKey of N-(2-ethylsulfanylcyclopentyl)-3-piperidin-4-ylbutanamide;hydrochloride?
The InChIKey is LXKIVCITRWNHCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2OS.ClH/c1-3-20-15-6-4-5-14(15)18-16(19)11-12(2)13-7-9-17-10-8-13;/h12-15,17H,3-11H2,1-2H3,(H,18,19);1H.
What are the key properties of N-(2-ethylsulfanylcyclopentyl)-3-piperidin-4-ylbutanamide;hydrochloride?
N-(2-ethylsulfanylcyclopentyl)-3-piperidin-4-ylbutanamide;hydrochloride has a molecular weight of 334.96 g/mol, XLogP of 3.22, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylsulfanylcyclopentyl)-3-piperidin-4-ylbutanamide;hydrochloride is sourced from PubChem (CID 119818870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).