4-[methyl(methylsulfonyl)amino]-N-naphthalen-1-ylpiperidine-1-carboxamide

C18H23N3O3S — CID 51128290

IUPAC4-[methyl(methylsulfonyl)amino]-N-naphthalen-1-ylpiperidine-1-carboxamide
SMILESCN(C1CCN(C(=O)Nc2cccc3ccccc23)CC1)S(C)(=O)=O
InChIInChI=1S/C18H23N3O3S/c1-20(25(2,23)24)15-10-12-21(13-11-15)18(22)19-17-9-5-7-14-6-3-4-8-16(14)17/h3-9,15H,10-13H2,1-2H3,(H,19,22)
InChIKeyIZJXQNXOJFCMOG-UHFFFAOYSA-N
MW361.47 g/mol
LogP2.73
Rot. Bonds3

About 4-[methyl(methylsulfonyl)amino]-N-naphthalen-1-ylpiperidine-1-carboxamide

4-[methyl(methylsulfonyl)amino]-N-naphthalen-1-ylpiperidine-1-carboxamide (PubChem CID 51128290) has the molecular formula C18H23N3O3S and a molecular weight of 361.47 g/mol. Its IUPAC name is 4-[methyl(methylsulfonyl)amino]-N-naphthalen-1-ylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-[methyl(methylsulfonyl)amino]-N-naphthalen-1-ylpiperidine-1-carboxamide
PubChem CID51128290
Molecular FormulaC18H23N3O3S
Molecular Weight361.47 g/mol
Exact Mass361.15
IUPAC Name4-[methyl(methylsulfonyl)amino]-N-naphthalen-1-ylpiperidine-1-carboxamide
SMILESCN(C1CCN(C(=O)Nc2cccc3ccccc23)CC1)S(C)(=O)=O
InChIInChI=1S/C18H23N3O3S/c1-20(25(2,23)24)15-10-12-21(13-11-15)18(22)19-17-9-5-7-14-6-3-4-8-16(14)17/h3-9,15H,10-13H2,1-2H3,(H,19,22)
InChIKeyIZJXQNXOJFCMOG-UHFFFAOYSA-N
XLogP2.73
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-hydroxypropyl(methyl)amino]-N-naphthalen-1-ylpiperidine-1-carboxamide
CID 111383892
3-(dimethylamino)-N-naphthalen-1-ylazetidine-1-carboxamide
CID 23140557
3-hydroxy-N-naphthalen-1-ylpyrrolidine-1-carboxamide
CID 62918134
4-cyclopropyl-N-naphthalen-1-ylpiperazine-1-carboxamide
CID 51096006
methyl 4-(naphthalen-1-ylcarbamoyl)piperazine-1-carboxylate
CID 108884718
(3S,4R)-3,4-dihydroxy-N-naphthalen-1-ylpyrrolidine-1-carboxamide
CID 79411310
3-(methylamino)-N-naphthalen-1-ylpiperidine-1-carboxamide
CID 62536380
4-formyl-N-naphthalen-1-ylpiperazine-1-carboxamide
CID 3736870
methyl 2-[(3R)-1-(naphthalen-1-ylcarbamoyl)pyrrolidin-3-yl]acetate
CID 97284758
3-(2-aminoethyl)-N-naphthalen-1-ylpyrrolidine-1-carboxamide
CID 114802238
N-naphthalen-1-yl-4-(oxolane-2-carbonyl)piperazine-1-carboxamide
CID 2979685
4-[2-(cyclopropylamino)-2-oxoethyl]-N-naphthalen-1-ylpiperazine-1-carboxamide
CID 30705203

Frequently Asked Questions

What is the IUPAC name of 4-[methyl(methylsulfonyl)amino]-N-naphthalen-1-ylpiperidine-1-carboxamide?
The IUPAC name of 4-[methyl(methylsulfonyl)amino]-N-naphthalen-1-ylpiperidine-1-carboxamide (CID 51128290) is 4-[methyl(methylsulfonyl)amino]-N-naphthalen-1-ylpiperidine-1-carboxamide.
What is the SMILES notation for 4-[methyl(methylsulfonyl)amino]-N-naphthalen-1-ylpiperidine-1-carboxamide?
The canonical SMILES for 4-[methyl(methylsulfonyl)amino]-N-naphthalen-1-ylpiperidine-1-carboxamide is CN(C1CCN(C(=O)Nc2cccc3ccccc23)CC1)S(C)(=O)=O.
What is the InChIKey of 4-[methyl(methylsulfonyl)amino]-N-naphthalen-1-ylpiperidine-1-carboxamide?
The InChIKey is IZJXQNXOJFCMOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3S/c1-20(25(2,23)24)15-10-12-21(13-11-15)18(22)19-17-9-5-7-14-6-3-4-8-16(14)17/h3-9,15H,10-13H2,1-2H3,(H,19,22).
What are the key properties of 4-[methyl(methylsulfonyl)amino]-N-naphthalen-1-ylpiperidine-1-carboxamide?
4-[methyl(methylsulfonyl)amino]-N-naphthalen-1-ylpiperidine-1-carboxamide has a molecular weight of 361.47 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(methylsulfonyl)amino]-N-naphthalen-1-ylpiperidine-1-carboxamide is sourced from PubChem (CID 51128290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).