N-methyl-1-[2-(2-phenylpropylsulfanyl)acetyl]piperidine-4-carboxamide

C18H26N2O2S — CID 84597545

IUPACN-methyl-1-[2-(2-phenylpropylsulfanyl)acetyl]piperidine-4-carboxamide
SMILESCNC(=O)C1CCN(C(=O)CSCC(C)c2ccccc2)CC1
InChIInChI=1S/C18H26N2O2S/c1-14(15-6-4-3-5-7-15)12-23-13-17(21)20-10-8-16(9-11-20)18(22)19-2/h3-7,14,16H,8-13H2,1-2H3,(H,19,22)
InChIKeyMVVQFJZXEXUSBW-UHFFFAOYSA-N
MW334.48 g/mol
LogP2.51
Rot. Bonds6

About N-methyl-1-[2-(2-phenylpropylsulfanyl)acetyl]piperidine-4-carboxamide

N-methyl-1-[2-(2-phenylpropylsulfanyl)acetyl]piperidine-4-carboxamide (PubChem CID 84597545) has the molecular formula C18H26N2O2S and a molecular weight of 334.48 g/mol. Its IUPAC name is N-methyl-1-[2-(2-phenylpropylsulfanyl)acetyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-methyl-1-[2-(2-phenylpropylsulfanyl)acetyl]piperidine-4-carboxamide
PubChem CID84597545
Molecular FormulaC18H26N2O2S
Molecular Weight334.48 g/mol
Exact Mass334.17
IUPAC NameN-methyl-1-[2-(2-phenylpropylsulfanyl)acetyl]piperidine-4-carboxamide
SMILESCNC(=O)C1CCN(C(=O)CSCC(C)c2ccccc2)CC1
InChIInChI=1S/C18H26N2O2S/c1-14(15-6-4-3-5-7-15)12-23-13-17(21)20-10-8-16(9-11-20)18(22)19-2/h3-7,14,16H,8-13H2,1-2H3,(H,19,22)
InChIKeyMVVQFJZXEXUSBW-UHFFFAOYSA-N
XLogP2.51
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.48
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-phenyl-1-(3-phenylbutanoyl)piperidine-4-carboxamide
CID 17409720
1-(2,2-diphenylacetyl)-N-methylpiperidine-4-carboxamide
CID 110350749
N-methyl-1-(2-phenylbutanoyl)piperidine-4-carboxamide
CID 43064111
1-[4-(methylamino)piperidin-1-yl]-3-phenylbutan-1-one;hydrochloride
CID 119561474
1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-[(2S)-2-hydroxy-2-phenylethyl]sulfanylethanone
CID 95292483
N-(3-methoxypropyl)-1-[(3R)-3-phenylbutanoyl]piperidine-4-carboxamide
CID 95322166
1-(4-aminopiperidin-1-yl)-3-phenylbutan-1-one
CID 72638559
1-(2-phenylacetyl)-N-(1-phenylethyl)piperidine-4-carboxamide
CID 113004094
(3S)-1-(azepan-1-yl)-3-phenylbutan-1-one
CID 2164015
1-[4-(methylamino)piperidin-1-yl]-3,3-diphenylpropan-1-one
CID 119563055
N-phenyl-1-[2-[[5-(2-phenylpropyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]piperidine-4-carboxamide
CID 47015830
1-[2-(2-fluorophenyl)sulfanylacetyl]piperidine-4-carbohydrazide
CID 63581145

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-(2-phenylpropylsulfanyl)acetyl]piperidine-4-carboxamide?
The IUPAC name of N-methyl-1-[2-(2-phenylpropylsulfanyl)acetyl]piperidine-4-carboxamide (CID 84597545) is N-methyl-1-[2-(2-phenylpropylsulfanyl)acetyl]piperidine-4-carboxamide.
What is the SMILES notation for N-methyl-1-[2-(2-phenylpropylsulfanyl)acetyl]piperidine-4-carboxamide?
The canonical SMILES for N-methyl-1-[2-(2-phenylpropylsulfanyl)acetyl]piperidine-4-carboxamide is CNC(=O)C1CCN(C(=O)CSCC(C)c2ccccc2)CC1.
What is the InChIKey of N-methyl-1-[2-(2-phenylpropylsulfanyl)acetyl]piperidine-4-carboxamide?
The InChIKey is MVVQFJZXEXUSBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2S/c1-14(15-6-4-3-5-7-15)12-23-13-17(21)20-10-8-16(9-11-20)18(22)19-2/h3-7,14,16H,8-13H2,1-2H3,(H,19,22).
What are the key properties of N-methyl-1-[2-(2-phenylpropylsulfanyl)acetyl]piperidine-4-carboxamide?
N-methyl-1-[2-(2-phenylpropylsulfanyl)acetyl]piperidine-4-carboxamide has a molecular weight of 334.48 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-(2-phenylpropylsulfanyl)acetyl]piperidine-4-carboxamide is sourced from PubChem (CID 84597545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).