1-[2-[methylsulfonyl(naphthalen-1-yl)amino]acetyl]piperidine-4-carboxamide

C19H23N3O4S — CID 126035425

IUPAC1-[2-[methylsulfonyl(naphthalen-1-yl)amino]acetyl]piperidine-4-carboxamide
SMILESCS(=O)(=O)N(CC(=O)N1CCC(C(N)=O)CC1)c1cccc2ccccc12
InChIInChI=1S/C19H23N3O4S/c1-27(25,26)22(17-8-4-6-14-5-2-3-7-16(14)17)13-18(23)21-11-9-15(10-12-21)19(20)24/h2-8,15H,9-13H2,1H3,(H2,20,24)
InChIKeyWLKGNBQAGJENBD-UHFFFAOYSA-N
MW389.48 g/mol
LogP1.33
Rot. Bonds5

About 1-[2-[methylsulfonyl(naphthalen-1-yl)amino]acetyl]piperidine-4-carboxamide

1-[2-[methylsulfonyl(naphthalen-1-yl)amino]acetyl]piperidine-4-carboxamide (PubChem CID 126035425) has the molecular formula C19H23N3O4S and a molecular weight of 389.48 g/mol. Its IUPAC name is 1-[2-[methylsulfonyl(naphthalen-1-yl)amino]acetyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-[methylsulfonyl(naphthalen-1-yl)amino]acetyl]piperidine-4-carboxamide
PubChem CID126035425
Molecular FormulaC19H23N3O4S
Molecular Weight389.48 g/mol
Exact Mass389.14
IUPAC Name1-[2-[methylsulfonyl(naphthalen-1-yl)amino]acetyl]piperidine-4-carboxamide
SMILESCS(=O)(=O)N(CC(=O)N1CCC(C(N)=O)CC1)c1cccc2ccccc12
InChIInChI=1S/C19H23N3O4S/c1-27(25,26)22(17-8-4-6-14-5-2-3-7-16(14)17)13-18(23)21-11-9-15(10-12-21)19(20)24/h2-8,15H,9-13H2,1H3,(H2,20,24)
InChIKeyWLKGNBQAGJENBD-UHFFFAOYSA-N
XLogP1.33
TPSA100.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(2-fluoro-N-methylsulfonylanilino)acetyl]piperidine-4-carboxamide
CID 126031859
1-[2-(2,4,5-trichloro-N-methylsulfonylanilino)acetyl]piperidine-4-carboxamide
CID 1251616
1-[2-(N-methylsulfonyl-4-phenoxyanilino)acetyl]piperidine-4-carboxamide
CID 2928967
1-[2-[N-(dimethylsulfamoyl)-2-fluoroanilino]acetyl]piperidine-4-carboxamide
CID 92684224
N-naphthalen-1-yl-N-[2-oxo-2-[4-(3-phenylprop-2-enyl)piperazin-1-yl]ethyl]methanesulfonamide
CID 71950909
ethyl 1-[2-(2-ethoxy-N-methylsulfonylanilino)acetyl]piperidine-4-carboxylate
CID 1076442
ethyl 1-[2-(2-methoxy-N-methylsulfonylanilino)acetyl]piperidine-4-carboxylate
CID 1076344
1-[4-(N-methylsulfonylanilino)butanoyl]piperidine-4-carboxamide
CID 6500036
ethyl 1-[2-(N-methylsulfonyl-2-propan-2-ylanilino)acetyl]piperidine-4-carboxylate
CID 30267760
N-(1-methylpiperidin-4-yl)-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide
CID 50945576
methyl 1-[2-(N-methylsulfonyl-2-propan-2-ylanilino)acetyl]piperidine-4-carboxylate
CID 30273706
N-(2-hydrazinyl-2-oxoethyl)-N-naphthalen-1-ylmethanesulfonamide
CID 50895807

Frequently Asked Questions

What is the IUPAC name of 1-[2-[methylsulfonyl(naphthalen-1-yl)amino]acetyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-[methylsulfonyl(naphthalen-1-yl)amino]acetyl]piperidine-4-carboxamide (CID 126035425) is 1-[2-[methylsulfonyl(naphthalen-1-yl)amino]acetyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-[methylsulfonyl(naphthalen-1-yl)amino]acetyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-[methylsulfonyl(naphthalen-1-yl)amino]acetyl]piperidine-4-carboxamide is CS(=O)(=O)N(CC(=O)N1CCC(C(N)=O)CC1)c1cccc2ccccc12.
What is the InChIKey of 1-[2-[methylsulfonyl(naphthalen-1-yl)amino]acetyl]piperidine-4-carboxamide?
The InChIKey is WLKGNBQAGJENBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4S/c1-27(25,26)22(17-8-4-6-14-5-2-3-7-16(14)17)13-18(23)21-11-9-15(10-12-21)19(20)24/h2-8,15H,9-13H2,1H3,(H2,20,24).
What are the key properties of 1-[2-[methylsulfonyl(naphthalen-1-yl)amino]acetyl]piperidine-4-carboxamide?
1-[2-[methylsulfonyl(naphthalen-1-yl)amino]acetyl]piperidine-4-carboxamide has a molecular weight of 389.48 g/mol, XLogP of 1.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[methylsulfonyl(naphthalen-1-yl)amino]acetyl]piperidine-4-carboxamide is sourced from PubChem (CID 126035425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).