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

C19H31ClN2O2S — CID 119759988

IUPACN-[(3-methoxy-4-methylsulfanylphenyl)methyl]-N-methyl-3-piperidin-3-ylbutanamide;hydrochloride
SMILESCOc1cc(CN(C)C(=O)CC(C)C2CCCNC2)ccc1SC.Cl
InChIInChI=1S/C19H30N2O2S.ClH/c1-14(16-6-5-9-20-12-16)10-19(22)21(2)13-15-7-8-18(24-4)17(11-15)23-3;/h7-8,11,14,16,20H,5-6,9-10,12-13H2,1-4H3;1H
InChIKeyZEXFAPHBUJQFHN-UHFFFAOYSA-N
MW386.99 g/mol
LogP3.82
Rot. Bonds7

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

N-[(3-methoxy-4-methylsulfanylphenyl)methyl]-N-methyl-3-piperidin-3-ylbutanamide;hydrochloride (PubChem CID 119759988) has the molecular formula C19H31ClN2O2S and a molecular weight of 386.99 g/mol. Its IUPAC name is N-[(3-methoxy-4-methylsulfanylphenyl)methyl]-N-methyl-3-piperidin-3-ylbutanamide;hydrochloride.

Molecular Properties

Compound NameN-[(3-methoxy-4-methylsulfanylphenyl)methyl]-N-methyl-3-piperidin-3-ylbutanamide;hydrochloride
PubChem CID119759988
Molecular FormulaC19H31ClN2O2S
Molecular Weight386.99 g/mol
Exact Mass386.18
IUPAC NameN-[(3-methoxy-4-methylsulfanylphenyl)methyl]-N-methyl-3-piperidin-3-ylbutanamide;hydrochloride
SMILESCOc1cc(CN(C)C(=O)CC(C)C2CCCNC2)ccc1SC.Cl
InChIInChI=1S/C19H30N2O2S.ClH/c1-14(16-6-5-9-20-12-16)10-19(22)21(2)13-15-7-8-18(24-4)17(11-15)23-3;/h7-8,11,14,16,20H,5-6,9-10,12-13H2,1-4H3;1H
InChIKeyZEXFAPHBUJQFHN-UHFFFAOYSA-N
XLogP3.82
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.99
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-fluorophenyl)methyl]-N-methyl-3-piperidin-3-ylbutanamide
CID 81049753
N-methyl-N-(naphthalen-2-ylmethyl)-3-piperidin-3-ylbutanamide
CID 119687832
N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-3-piperidin-3-ylbutanamide
CID 119694366
N-[(3-methoxy-4-methylsulfanylphenyl)methyl]-N-methyl-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119760008
N-methyl-N-[(4-methylsulfinylphenyl)methyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119807774
N-methyl-3-piperidin-3-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]butanamide;hydrochloride
CID 119717349
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-(2-methylpropyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119790264
2-(cyclopropylmethylamino)-N-[(3-methoxy-4-methylsulfanylphenyl)methyl]-N-methylacetamide;hydrochloride
CID 119759990
N-[(3-methoxy-4-methylsulfanylphenyl)methyl]-N-methylpiperidine-2-carboxamide;hydrochloride
CID 119309836
N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119692017
N-[(2-ethoxyphenyl)methyl]-N-methyl-3-piperidin-3-ylbutanamide
CID 119738443
N-methyl-N-(naphthalen-1-ylmethyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119707667

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxy-4-methylsulfanylphenyl)methyl]-N-methyl-3-piperidin-3-ylbutanamide;hydrochloride?
The IUPAC name of N-[(3-methoxy-4-methylsulfanylphenyl)methyl]-N-methyl-3-piperidin-3-ylbutanamide;hydrochloride (CID 119759988) is N-[(3-methoxy-4-methylsulfanylphenyl)methyl]-N-methyl-3-piperidin-3-ylbutanamide;hydrochloride.
What is the SMILES notation for N-[(3-methoxy-4-methylsulfanylphenyl)methyl]-N-methyl-3-piperidin-3-ylbutanamide;hydrochloride?
The canonical SMILES for N-[(3-methoxy-4-methylsulfanylphenyl)methyl]-N-methyl-3-piperidin-3-ylbutanamide;hydrochloride is COc1cc(CN(C)C(=O)CC(C)C2CCCNC2)ccc1SC.Cl.
What is the InChIKey of N-[(3-methoxy-4-methylsulfanylphenyl)methyl]-N-methyl-3-piperidin-3-ylbutanamide;hydrochloride?
The InChIKey is ZEXFAPHBUJQFHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2S.ClH/c1-14(16-6-5-9-20-12-16)10-19(22)21(2)13-15-7-8-18(24-4)17(11-15)23-3;/h7-8,11,14,16,20H,5-6,9-10,12-13H2,1-4H3;1H.
What are the key properties of N-[(3-methoxy-4-methylsulfanylphenyl)methyl]-N-methyl-3-piperidin-3-ylbutanamide;hydrochloride?
N-[(3-methoxy-4-methylsulfanylphenyl)methyl]-N-methyl-3-piperidin-3-ylbutanamide;hydrochloride has a molecular weight of 386.99 g/mol, XLogP of 3.82, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxy-4-methylsulfanylphenyl)methyl]-N-methyl-3-piperidin-3-ylbutanamide;hydrochloride is sourced from PubChem (CID 119759988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).