2-[methylsulfonyl-[1-(1-naphthalen-1-ylethyl)piperidin-4-yl]amino]-N-(1,3,4-oxadiazol-2-ylmethyl)acetamide

C23H29N5O4S — CID 168940101

IUPAC2-[methylsulfonyl-[1-(1-naphthalen-1-ylethyl)piperidin-4-yl]amino]-N-(1,3,4-oxadiazol-2-ylmethyl)acetamide
SMILESCC(c1cccc2ccccc12)N1CCC(N(CC(=O)NCc2nnco2)S(C)(=O)=O)CC1
InChIInChI=1S/C23H29N5O4S/c1-17(20-9-5-7-18-6-3-4-8-21(18)20)27-12-10-19(11-13-27)28(33(2,30)31)15-22(29)24-14-23-26-25-16-32-23/h3-9,16-17,19H,10-15H2,1-2H3,(H,24,29)
InChIKeyFAQGRTAZDHCMTD-UHFFFAOYSA-N
MW471.58 g/mol
LogP2.33
Rot. Bonds8

About 2-[methylsulfonyl-[1-(1-naphthalen-1-ylethyl)piperidin-4-yl]amino]-N-(1,3,4-oxadiazol-2-ylmethyl)acetamide

2-[methylsulfonyl-[1-(1-naphthalen-1-ylethyl)piperidin-4-yl]amino]-N-(1,3,4-oxadiazol-2-ylmethyl)acetamide (PubChem CID 168940101) has the molecular formula C23H29N5O4S and a molecular weight of 471.58 g/mol. Its IUPAC name is 2-[methylsulfonyl-[1-(1-naphthalen-1-ylethyl)piperidin-4-yl]amino]-N-(1,3,4-oxadiazol-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[methylsulfonyl-[1-(1-naphthalen-1-ylethyl)piperidin-4-yl]amino]-N-(1,3,4-oxadiazol-2-ylmethyl)acetamide
PubChem CID168940101
Molecular FormulaC23H29N5O4S
Molecular Weight471.58 g/mol
Exact Mass471.19
IUPAC Name2-[methylsulfonyl-[1-(1-naphthalen-1-ylethyl)piperidin-4-yl]amino]-N-(1,3,4-oxadiazol-2-ylmethyl)acetamide
SMILESCC(c1cccc2ccccc12)N1CCC(N(CC(=O)NCc2nnco2)S(C)(=O)=O)CC1
InChIInChI=1S/C23H29N5O4S/c1-17(20-9-5-7-18-6-3-4-8-21(18)20)27-12-10-19(11-13-27)28(33(2,30)31)15-22(29)24-14-23-26-25-16-32-23/h3-9,16-17,19H,10-15H2,1-2H3,(H,24,29)
InChIKeyFAQGRTAZDHCMTD-UHFFFAOYSA-N
XLogP2.33
TPSA108.64 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.58
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-benzyl-3-[[2-[[2-[methylsulfonyl-[1-(1-naphthalen-1-ylethyl)piperidin-4-yl]amino]acetyl]amino]acetyl]amino]-2-oxopropanamide
CID 168940016
N-[2-(2-ethenylsulfonylhydrazinyl)-2-oxoethyl]-N-[1-(1-naphthalen-1-ylethyl)piperidin-4-yl]methanesulfonamide
CID 168940163
2-[methylsulfonyl-[1-(1-naphthalen-1-ylethyl)piperidin-4-yl]amino]-N-(3,3,3-trifluoro-2-prop-2-ynoxypropyl)acetamide
CID 168940180
2-[4-[methylsulfonyl-[2-oxo-2-[[2-oxo-2-(prop-2-ynylamino)ethyl]amino]ethyl]amino]piperidin-1-yl]-2-naphthalen-1-ylacetic acid
CID 168940115
2-[[2-[[1-[cyclopropyl(naphthalen-1-yl)methyl]piperidin-4-yl]-methylsulfonylamino]acetyl]amino]-N-prop-2-ynylacetamide
CID 168939979
2-[[2-[[1-(1-isoquinolin-1-ylethyl)piperidin-4-yl]-methylsulfonylamino]acetyl]amino]-N-prop-2-ynylacetamide
CID 168939991
1-[(1R)-1-naphthalen-1-ylethyl]piperidine-4-carboxylic acid
CID 155289856
methyl 2-[[2-[cyclobutanecarbonyl-[1-(1-naphthalen-1-ylethyl)piperidin-4-yl]amino]acetyl]amino]acetate
CID 168939839
2-[[2-[cyclopropylsulfanyl-[1-(1-naphthalen-1-ylethyl)piperidin-4-yl]amino]acetyl]amino]-N-prop-2-ynylacetamide
CID 168940000
N-but-3-yn-2-yl-2-[[2-[methylsulfanyl-[1-(1-naphthalen-1-ylethyl)piperidin-4-yl]amino]acetyl]amino]acetamide
CID 168939846
N-[(4-fluorophenyl)methyl]-1-(1-naphthalen-1-ylethyl)piperidine-4-carboxamide
CID 155891033
2-[[2-[[1-(1-naphthalen-1-ylethyl)piperidin-4-yl]-phenylsulfanylamino]acetyl]amino]-N-prop-2-ynylacetamide
CID 168940159

Frequently Asked Questions

What is the IUPAC name of 2-[methylsulfonyl-[1-(1-naphthalen-1-ylethyl)piperidin-4-yl]amino]-N-(1,3,4-oxadiazol-2-ylmethyl)acetamide?
The IUPAC name of 2-[methylsulfonyl-[1-(1-naphthalen-1-ylethyl)piperidin-4-yl]amino]-N-(1,3,4-oxadiazol-2-ylmethyl)acetamide (CID 168940101) is 2-[methylsulfonyl-[1-(1-naphthalen-1-ylethyl)piperidin-4-yl]amino]-N-(1,3,4-oxadiazol-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[methylsulfonyl-[1-(1-naphthalen-1-ylethyl)piperidin-4-yl]amino]-N-(1,3,4-oxadiazol-2-ylmethyl)acetamide?
The canonical SMILES for 2-[methylsulfonyl-[1-(1-naphthalen-1-ylethyl)piperidin-4-yl]amino]-N-(1,3,4-oxadiazol-2-ylmethyl)acetamide is CC(c1cccc2ccccc12)N1CCC(N(CC(=O)NCc2nnco2)S(C)(=O)=O)CC1.
What is the InChIKey of 2-[methylsulfonyl-[1-(1-naphthalen-1-ylethyl)piperidin-4-yl]amino]-N-(1,3,4-oxadiazol-2-ylmethyl)acetamide?
The InChIKey is FAQGRTAZDHCMTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O4S/c1-17(20-9-5-7-18-6-3-4-8-21(18)20)27-12-10-19(11-13-27)28(33(2,30)31)15-22(29)24-14-23-26-25-16-32-23/h3-9,16-17,19H,10-15H2,1-2H3,(H,24,29).
What are the key properties of 2-[methylsulfonyl-[1-(1-naphthalen-1-ylethyl)piperidin-4-yl]amino]-N-(1,3,4-oxadiazol-2-ylmethyl)acetamide?
2-[methylsulfonyl-[1-(1-naphthalen-1-ylethyl)piperidin-4-yl]amino]-N-(1,3,4-oxadiazol-2-ylmethyl)acetamide has a molecular weight of 471.58 g/mol, XLogP of 2.33, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methylsulfonyl-[1-(1-naphthalen-1-ylethyl)piperidin-4-yl]amino]-N-(1,3,4-oxadiazol-2-ylmethyl)acetamide is sourced from PubChem (CID 168940101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).