N-[(3-methoxy-4-methylsulfanylphenyl)methyl]-N-methylpiperidine-2-carboxamide;hydrochloride

C16H25ClN2O2S — CID 119309836

IUPACN-[(3-methoxy-4-methylsulfanylphenyl)methyl]-N-methylpiperidine-2-carboxamide;hydrochloride
SMILESCOc1cc(CN(C)C(=O)C2CCCCN2)ccc1SC.Cl
InChIInChI=1S/C16H24N2O2S.ClH/c1-18(16(19)13-6-4-5-9-17-13)11-12-7-8-15(21-3)14(10-12)20-2;/h7-8,10,13,17H,4-6,9,11H2,1-3H3;1H
InChIKeyKSECBFUGZDLZPW-UHFFFAOYSA-N
MW344.91 g/mol
LogP2.94
Rot. Bonds5

About N-[(3-methoxy-4-methylsulfanylphenyl)methyl]-N-methylpiperidine-2-carboxamide;hydrochloride

N-[(3-methoxy-4-methylsulfanylphenyl)methyl]-N-methylpiperidine-2-carboxamide;hydrochloride (PubChem CID 119309836) has the molecular formula C16H25ClN2O2S and a molecular weight of 344.91 g/mol. Its IUPAC name is N-[(3-methoxy-4-methylsulfanylphenyl)methyl]-N-methylpiperidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[(3-methoxy-4-methylsulfanylphenyl)methyl]-N-methylpiperidine-2-carboxamide;hydrochloride
PubChem CID119309836
Molecular FormulaC16H25ClN2O2S
Molecular Weight344.91 g/mol
Exact Mass344.13
IUPAC NameN-[(3-methoxy-4-methylsulfanylphenyl)methyl]-N-methylpiperidine-2-carboxamide;hydrochloride
SMILESCOc1cc(CN(C)C(=O)C2CCCCN2)ccc1SC.Cl
InChIInChI=1S/C16H24N2O2S.ClH/c1-18(16(19)13-6-4-5-9-17-13)11-12-7-8-15(21-3)14(10-12)20-2;/h7-8,10,13,17H,4-6,9,11H2,1-3H3;1H
InChIKeyKSECBFUGZDLZPW-UHFFFAOYSA-N
XLogP2.94
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.91
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-methylpiperidine-2-carboxamide;hydrochloride
CID 119705002
N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-methylpiperidine-2-carboxamide
CID 60962824
N-[(3-methoxy-4-methylsulfanylphenyl)methyl]-N-methyl-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119760008
(2S)-N-[(3,4-difluorophenyl)methyl]-N-methylpiperidine-2-carboxamide;hydrochloride
CID 119717254
(2R)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]piperidine-2-carboxamide
CID 93367508
N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylpyrrolidine-2-carboxamide;hydrochloride
CID 119272234
(2S)-N-methyl-N-[(4-methylphenyl)methyl]piperidine-2-carboxamide;hydrochloride
CID 119681881
(2S)-N-[(4-bromophenyl)methyl]-N-methylpiperidine-2-carboxamide;hydrochloride
CID 119682587
(2R)-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylpiperidine-2-carboxamide
CID 103808029
3-amino-N-[(3-methoxy-4-methylsulfanylphenyl)methyl]-N-methylcyclopentane-1-carboxamide
CID 119759977
(2R)-N-methyl-N-(naphthalen-2-ylmethyl)piperidine-2-carboxamide
CID 103808154
N-[(4-chlorophenyl)methyl]-N-methylpiperidine-2-carboxamide
CID 54944765

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxy-4-methylsulfanylphenyl)methyl]-N-methylpiperidine-2-carboxamide;hydrochloride?
The IUPAC name of N-[(3-methoxy-4-methylsulfanylphenyl)methyl]-N-methylpiperidine-2-carboxamide;hydrochloride (CID 119309836) is N-[(3-methoxy-4-methylsulfanylphenyl)methyl]-N-methylpiperidine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[(3-methoxy-4-methylsulfanylphenyl)methyl]-N-methylpiperidine-2-carboxamide;hydrochloride?
The canonical SMILES for N-[(3-methoxy-4-methylsulfanylphenyl)methyl]-N-methylpiperidine-2-carboxamide;hydrochloride is COc1cc(CN(C)C(=O)C2CCCCN2)ccc1SC.Cl.
What is the InChIKey of N-[(3-methoxy-4-methylsulfanylphenyl)methyl]-N-methylpiperidine-2-carboxamide;hydrochloride?
The InChIKey is KSECBFUGZDLZPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2S.ClH/c1-18(16(19)13-6-4-5-9-17-13)11-12-7-8-15(21-3)14(10-12)20-2;/h7-8,10,13,17H,4-6,9,11H2,1-3H3;1H.
What are the key properties of N-[(3-methoxy-4-methylsulfanylphenyl)methyl]-N-methylpiperidine-2-carboxamide;hydrochloride?
N-[(3-methoxy-4-methylsulfanylphenyl)methyl]-N-methylpiperidine-2-carboxamide;hydrochloride has a molecular weight of 344.91 g/mol, XLogP of 2.94, 5 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-methylpiperidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119309836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).