4-methoxy-N-[1-(4-methylsulfonylphenyl)ethyl]piperidine-4-carboxamide

C16H24N2O4S — CID 119695871

IUPAC4-methoxy-N-[1-(4-methylsulfonylphenyl)ethyl]piperidine-4-carboxamide
SMILESCOC1(C(=O)NC(C)c2ccc(S(C)(=O)=O)cc2)CCNCC1
InChIInChI=1S/C16H24N2O4S/c1-12(13-4-6-14(7-5-13)23(3,20)21)18-15(19)16(22-2)8-10-17-11-9-16/h4-7,12,17H,8-11H2,1-3H3,(H,18,19)
InChIKeyVBTHUWYJMKJFPD-UHFFFAOYSA-N
MW340.44 g/mol
LogP1.04
Rot. Bonds5

About 4-methoxy-N-[1-(4-methylsulfonylphenyl)ethyl]piperidine-4-carboxamide

4-methoxy-N-[1-(4-methylsulfonylphenyl)ethyl]piperidine-4-carboxamide (PubChem CID 119695871) has the molecular formula C16H24N2O4S and a molecular weight of 340.44 g/mol. Its IUPAC name is 4-methoxy-N-[1-(4-methylsulfonylphenyl)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name4-methoxy-N-[1-(4-methylsulfonylphenyl)ethyl]piperidine-4-carboxamide
PubChem CID119695871
Molecular FormulaC16H24N2O4S
Molecular Weight340.44 g/mol
Exact Mass340.15
IUPAC Name4-methoxy-N-[1-(4-methylsulfonylphenyl)ethyl]piperidine-4-carboxamide
SMILESCOC1(C(=O)NC(C)c2ccc(S(C)(=O)=O)cc2)CCNCC1
InChIInChI=1S/C16H24N2O4S/c1-12(13-4-6-14(7-5-13)23(3,20)21)18-15(19)16(22-2)8-10-17-11-9-16/h4-7,12,17H,8-11H2,1-3H3,(H,18,19)
InChIKeyVBTHUWYJMKJFPD-UHFFFAOYSA-N
XLogP1.04
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.44
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-N-[1-(3-propan-2-yloxyphenyl)ethyl]piperidine-4-carboxamide
CID 119721118
1-(methoxymethyl)-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]cyclobutane-1-carboxamide
CID 95143299
1-(methoxymethyl)-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]cyclobutane-1-carboxamide
CID 95143298
1-amino-N-[1-(4-methylsulfonylphenyl)ethyl]cyclobutane-1-carboxamide
CID 81172890
4-methoxy-N-[1-(2-methoxyphenyl)ethyl]piperidine-4-carboxamide;hydrochloride
CID 119683042
N-[1-(2,4-dichlorophenyl)ethyl]-4-methoxypiperidine-4-carboxamide
CID 119683871
4-methoxy-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide;hydrochloride
CID 119672814
N-[1-(4-methylsulfonylphenyl)ethyl]-1-phenylcyclopentane-1-carboxamide
CID 133165833
4-methoxy-N-[1-(3-methoxy-4-phenylmethoxyphenyl)ethyl]piperidine-4-carboxamide;hydrochloride
CID 119721259
4-methoxy-N-[(4-propan-2-ylphenyl)methyl]piperidine-4-carboxamide
CID 119716391
N-[1-(2-chloro-4-fluorophenyl)ethyl]-4-methoxypiperidine-4-carboxamide
CID 119795506
N-[1-(3-imidazol-1-ylphenyl)ethyl]-4-methoxypiperidine-4-carboxamide
CID 119899677

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[1-(4-methylsulfonylphenyl)ethyl]piperidine-4-carboxamide?
The IUPAC name of 4-methoxy-N-[1-(4-methylsulfonylphenyl)ethyl]piperidine-4-carboxamide (CID 119695871) is 4-methoxy-N-[1-(4-methylsulfonylphenyl)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for 4-methoxy-N-[1-(4-methylsulfonylphenyl)ethyl]piperidine-4-carboxamide?
The canonical SMILES for 4-methoxy-N-[1-(4-methylsulfonylphenyl)ethyl]piperidine-4-carboxamide is COC1(C(=O)NC(C)c2ccc(S(C)(=O)=O)cc2)CCNCC1.
What is the InChIKey of 4-methoxy-N-[1-(4-methylsulfonylphenyl)ethyl]piperidine-4-carboxamide?
The InChIKey is VBTHUWYJMKJFPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4S/c1-12(13-4-6-14(7-5-13)23(3,20)21)18-15(19)16(22-2)8-10-17-11-9-16/h4-7,12,17H,8-11H2,1-3H3,(H,18,19).
What are the key properties of 4-methoxy-N-[1-(4-methylsulfonylphenyl)ethyl]piperidine-4-carboxamide?
4-methoxy-N-[1-(4-methylsulfonylphenyl)ethyl]piperidine-4-carboxamide has a molecular weight of 340.44 g/mol, XLogP of 1.04, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[1-(4-methylsulfonylphenyl)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 119695871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).