N-methyl-N-[(4-methylsulfinylphenyl)methyl]-3-piperidin-3-ylbutanamide;hydrochloride

C18H29ClN2O2S — CID 119807774

IUPACN-methyl-N-[(4-methylsulfinylphenyl)methyl]-3-piperidin-3-ylbutanamide;hydrochloride
SMILESCC(CC(=O)N(C)Cc1ccc(S(C)=O)cc1)C1CCCNC1.Cl
InChIInChI=1S/C18H28N2O2S.ClH/c1-14(16-5-4-10-19-12-16)11-18(21)20(2)13-15-6-8-17(9-7-15)23(3)22;/h6-9,14,16,19H,4-5,10-13H2,1-3H3;1H
InChIKeyLELIPCZIDLYSGF-UHFFFAOYSA-N
MW372.96 g/mol
LogP2.83
Rot. Bonds6

About N-methyl-N-[(4-methylsulfinylphenyl)methyl]-3-piperidin-3-ylbutanamide;hydrochloride

N-methyl-N-[(4-methylsulfinylphenyl)methyl]-3-piperidin-3-ylbutanamide;hydrochloride (PubChem CID 119807774) has the molecular formula C18H29ClN2O2S and a molecular weight of 372.96 g/mol. Its IUPAC name is N-methyl-N-[(4-methylsulfinylphenyl)methyl]-3-piperidin-3-ylbutanamide;hydrochloride.

Molecular Properties

Compound NameN-methyl-N-[(4-methylsulfinylphenyl)methyl]-3-piperidin-3-ylbutanamide;hydrochloride
PubChem CID119807774
Molecular FormulaC18H29ClN2O2S
Molecular Weight372.96 g/mol
Exact Mass372.16
IUPAC NameN-methyl-N-[(4-methylsulfinylphenyl)methyl]-3-piperidin-3-ylbutanamide;hydrochloride
SMILESCC(CC(=O)N(C)Cc1ccc(S(C)=O)cc1)C1CCCNC1.Cl
InChIInChI=1S/C18H28N2O2S.ClH/c1-14(16-5-4-10-19-12-16)11-18(21)20(2)13-15-6-8-17(9-7-15)23(3)22;/h6-9,14,16,19H,4-5,10-13H2,1-3H3;1H
InChIKeyLELIPCZIDLYSGF-UHFFFAOYSA-N
XLogP2.83
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.96
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-fluorophenyl)methyl]-N-methyl-3-piperidin-3-ylbutanamide
CID 81049753
N-methyl-3-piperidin-3-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]butanamide;hydrochloride
CID 119717349
N-methyl-N-(naphthalen-2-ylmethyl)-3-piperidin-3-ylbutanamide
CID 119687832
N-[(3-methoxy-4-methylsulfanylphenyl)methyl]-N-methyl-3-piperidin-3-ylbutanamide;hydrochloride
CID 119759988
N-methyl-N-[(5-methylthiophen-2-yl)methyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119773757
N-methyl-N-(naphthalen-1-ylmethyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119707667
N-[2-[benzyl(methyl)amino]-2-oxoethyl]-3-piperidin-3-ylbutanamide
CID 119719387
N-(2,2-difluoroethyl)-N-methyl-3-piperidin-3-ylbutanamide
CID 115738604
N-methyl-N-(2-methylpropyl)-3-piperidin-3-ylbutanamide
CID 81043828
N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119692017
N-methyl-3-piperidin-3-yl-N-propylbutanamide
CID 81043827
N-[(2-ethoxyphenyl)methyl]-N-methyl-3-piperidin-3-ylbutanamide
CID 119738443

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(4-methylsulfinylphenyl)methyl]-3-piperidin-3-ylbutanamide;hydrochloride?
The IUPAC name of N-methyl-N-[(4-methylsulfinylphenyl)methyl]-3-piperidin-3-ylbutanamide;hydrochloride (CID 119807774) is N-methyl-N-[(4-methylsulfinylphenyl)methyl]-3-piperidin-3-ylbutanamide;hydrochloride.
What is the SMILES notation for N-methyl-N-[(4-methylsulfinylphenyl)methyl]-3-piperidin-3-ylbutanamide;hydrochloride?
The canonical SMILES for N-methyl-N-[(4-methylsulfinylphenyl)methyl]-3-piperidin-3-ylbutanamide;hydrochloride is CC(CC(=O)N(C)Cc1ccc(S(C)=O)cc1)C1CCCNC1.Cl.
What is the InChIKey of N-methyl-N-[(4-methylsulfinylphenyl)methyl]-3-piperidin-3-ylbutanamide;hydrochloride?
The InChIKey is LELIPCZIDLYSGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2S.ClH/c1-14(16-5-4-10-19-12-16)11-18(21)20(2)13-15-6-8-17(9-7-15)23(3)22;/h6-9,14,16,19H,4-5,10-13H2,1-3H3;1H.
What are the key properties of N-methyl-N-[(4-methylsulfinylphenyl)methyl]-3-piperidin-3-ylbutanamide;hydrochloride?
N-methyl-N-[(4-methylsulfinylphenyl)methyl]-3-piperidin-3-ylbutanamide;hydrochloride has a molecular weight of 372.96 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(4-methylsulfinylphenyl)methyl]-3-piperidin-3-ylbutanamide;hydrochloride is sourced from PubChem (CID 119807774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).