N-piperidin-4-yl-N-propyl-2-propylsulfanylacetamide;hydrochloride

C13H27ClN2OS — CID 119824316

IUPACN-piperidin-4-yl-N-propyl-2-propylsulfanylacetamide;hydrochloride
SMILESCCCSCC(=O)N(CCC)C1CCNCC1.Cl
InChIInChI=1S/C13H26N2OS.ClH/c1-3-9-15(12-5-7-14-8-6-12)13(16)11-17-10-4-2;/h12,14H,3-11H2,1-2H3;1H
InChIKeyLJMZLKDDTRCBNO-UHFFFAOYSA-N
MW294.89 g/mol
LogP2.54
Rot. Bonds7

About N-piperidin-4-yl-N-propyl-2-propylsulfanylacetamide;hydrochloride

N-piperidin-4-yl-N-propyl-2-propylsulfanylacetamide;hydrochloride (PubChem CID 119824316) has the molecular formula C13H27ClN2OS and a molecular weight of 294.89 g/mol. Its IUPAC name is N-piperidin-4-yl-N-propyl-2-propylsulfanylacetamide;hydrochloride.

Molecular Properties

Compound NameN-piperidin-4-yl-N-propyl-2-propylsulfanylacetamide;hydrochloride
PubChem CID119824316
Molecular FormulaC13H27ClN2OS
Molecular Weight294.89 g/mol
Exact Mass294.15
IUPAC NameN-piperidin-4-yl-N-propyl-2-propylsulfanylacetamide;hydrochloride
SMILESCCCSCC(=O)N(CCC)C1CCNCC1.Cl
InChIInChI=1S/C13H26N2OS.ClH/c1-3-9-15(12-5-7-14-8-6-12)13(16)11-17-10-4-2;/h12,14H,3-11H2,1-2H3;1H
InChIKeyLJMZLKDDTRCBNO-UHFFFAOYSA-N
XLogP2.54
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.89
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-piperidin-4-yl-N-propyl-2-(trifluoromethylsulfanyl)acetamide;hydrochloride
CID 119823659
3,3,3-trifluoro-N-piperidin-4-yl-N-propylpropanamide;hydrochloride
CID 119824721
3-ethyl-N-piperidin-4-yl-N-propylpentanamide;hydrochloride
CID 119824289
N-piperidin-4-yl-N-propylhexanamide
CID 60807623
2-[2-[cyclopropyl(propyl)amino]-2-oxoethyl]sulfanylacetic acid
CID 104569015
2-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)-N-piperidin-4-yl-N-propylacetamide;hydrochloride
CID 119826446
3-(4-chlorophenyl)sulfanyl-N-piperidin-4-yl-N-propylpropanamide;hydrochloride
CID 119824335
N,N-diethyl-N'-piperidin-4-yl-N'-propylpentanediamide
CID 119823717
3-methylsulfonyl-N-piperidin-4-yl-N-propylpropanamide
CID 54895477
2-butylsulfanyl-N-propyl-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119530953
N-piperidin-4-yl-N-propylazepane-1-carboxamide
CID 79152738
3,3-dimethyl-5-oxo-5-[piperidin-4-yl(propyl)amino]pentanoic acid
CID 62935444

Frequently Asked Questions

What is the IUPAC name of N-piperidin-4-yl-N-propyl-2-propylsulfanylacetamide;hydrochloride?
The IUPAC name of N-piperidin-4-yl-N-propyl-2-propylsulfanylacetamide;hydrochloride (CID 119824316) is N-piperidin-4-yl-N-propyl-2-propylsulfanylacetamide;hydrochloride.
What is the SMILES notation for N-piperidin-4-yl-N-propyl-2-propylsulfanylacetamide;hydrochloride?
The canonical SMILES for N-piperidin-4-yl-N-propyl-2-propylsulfanylacetamide;hydrochloride is CCCSCC(=O)N(CCC)C1CCNCC1.Cl.
What is the InChIKey of N-piperidin-4-yl-N-propyl-2-propylsulfanylacetamide;hydrochloride?
The InChIKey is LJMZLKDDTRCBNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2OS.ClH/c1-3-9-15(12-5-7-14-8-6-12)13(16)11-17-10-4-2;/h12,14H,3-11H2,1-2H3;1H.
What are the key properties of N-piperidin-4-yl-N-propyl-2-propylsulfanylacetamide;hydrochloride?
N-piperidin-4-yl-N-propyl-2-propylsulfanylacetamide;hydrochloride has a molecular weight of 294.89 g/mol, XLogP of 2.54, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-piperidin-4-yl-N-propyl-2-propylsulfanylacetamide;hydrochloride is sourced from PubChem (CID 119824316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).