N-(2,6-dimethylphenyl)-4-(1-methylsulfonylpiperidin-4-yl)oxypiperidine-1-carboxamide

C20H31N3O4S — CID 91906267

IUPACN-(2,6-dimethylphenyl)-4-(1-methylsulfonylpiperidin-4-yl)oxypiperidine-1-carboxamide
SMILESCc1cccc(C)c1NC(=O)N1CCC(OC2CCN(S(C)(=O)=O)CC2)CC1
InChIInChI=1S/C20H31N3O4S/c1-15-5-4-6-16(2)19(15)21-20(24)22-11-7-17(8-12-22)27-18-9-13-23(14-10-18)28(3,25)26/h4-6,17-18H,7-14H2,1-3H3,(H,21,24)
InChIKeyNXYLEYTVJRUSAI-UHFFFAOYSA-N
MW409.55 g/mol
LogP2.74
Rot. Bonds4

About N-(2,6-dimethylphenyl)-4-(1-methylsulfonylpiperidin-4-yl)oxypiperidine-1-carboxamide

N-(2,6-dimethylphenyl)-4-(1-methylsulfonylpiperidin-4-yl)oxypiperidine-1-carboxamide (PubChem CID 91906267) has the molecular formula C20H31N3O4S and a molecular weight of 409.55 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-4-(1-methylsulfonylpiperidin-4-yl)oxypiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-4-(1-methylsulfonylpiperidin-4-yl)oxypiperidine-1-carboxamide
PubChem CID91906267
Molecular FormulaC20H31N3O4S
Molecular Weight409.55 g/mol
Exact Mass409.20
IUPAC NameN-(2,6-dimethylphenyl)-4-(1-methylsulfonylpiperidin-4-yl)oxypiperidine-1-carboxamide
SMILESCc1cccc(C)c1NC(=O)N1CCC(OC2CCN(S(C)(=O)=O)CC2)CC1
InChIInChI=1S/C20H31N3O4S/c1-15-5-4-6-16(2)19(15)21-20(24)22-11-7-17(8-12-22)27-18-9-13-23(14-10-18)28(3,25)26/h4-6,17-18H,7-14H2,1-3H3,(H,21,24)
InChIKeyNXYLEYTVJRUSAI-UHFFFAOYSA-N
XLogP2.74
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.55
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-ethoxyphenyl)-4-(1-methylsulfonylpiperidin-4-yl)oxypiperidine-1-carboxamide
CID 91916489
(3R)-N-(2,6-dimethylphenyl)-3-hydroxypyrrolidine-1-carboxamide
CID 111431144
N-(furan-2-ylmethyl)-4-(1-methylsulfonylpiperidin-4-yl)oxypiperidine-1-carboxamide
CID 91906272
(2-chlorophenyl)-[4-(1-methylsulfonylpiperidin-4-yl)oxypiperidin-1-yl]methanone
CID 91916339
4-benzamido-N-(2,6-dimethylphenyl)piperidine-1-carboxamide
CID 43814093
(2,6-dimethylphenyl) 1-methylsulfonylpiperidine-4-carboxylate
CID 24603261
1-N-(2,6-dimethylphenyl)-4-N-(3-ethoxypropyl)piperidine-1,4-dicarboxamide
CID 86987351
2-[(3-hydroxypyrrolidine-1-carbonyl)amino]-3-methylbenzoic acid
CID 62941573
N-(2,6-dimethylphenyl)-4-(2-methoxyethyl)piperazine-1-carboxamide
CID 113104947
N-(2-fluoro-6-methylphenyl)azetidine-1-carboxamide
CID 134177696
N-(2,6-dichlorophenyl)-1-methylsulfonylpiperidine-4-carboxamide
CID 45374342
N-(2,6-dimethylphenyl)-4-(oxolan-2-ylmethyl)piperazine-1-carboxamide
CID 113105451

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-4-(1-methylsulfonylpiperidin-4-yl)oxypiperidine-1-carboxamide?
The IUPAC name of N-(2,6-dimethylphenyl)-4-(1-methylsulfonylpiperidin-4-yl)oxypiperidine-1-carboxamide (CID 91906267) is N-(2,6-dimethylphenyl)-4-(1-methylsulfonylpiperidin-4-yl)oxypiperidine-1-carboxamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-4-(1-methylsulfonylpiperidin-4-yl)oxypiperidine-1-carboxamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-4-(1-methylsulfonylpiperidin-4-yl)oxypiperidine-1-carboxamide is Cc1cccc(C)c1NC(=O)N1CCC(OC2CCN(S(C)(=O)=O)CC2)CC1.
What is the InChIKey of N-(2,6-dimethylphenyl)-4-(1-methylsulfonylpiperidin-4-yl)oxypiperidine-1-carboxamide?
The InChIKey is NXYLEYTVJRUSAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O4S/c1-15-5-4-6-16(2)19(15)21-20(24)22-11-7-17(8-12-22)27-18-9-13-23(14-10-18)28(3,25)26/h4-6,17-18H,7-14H2,1-3H3,(H,21,24).
What are the key properties of N-(2,6-dimethylphenyl)-4-(1-methylsulfonylpiperidin-4-yl)oxypiperidine-1-carboxamide?
N-(2,6-dimethylphenyl)-4-(1-methylsulfonylpiperidin-4-yl)oxypiperidine-1-carboxamide has a molecular weight of 409.55 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-4-(1-methylsulfonylpiperidin-4-yl)oxypiperidine-1-carboxamide is sourced from PubChem (CID 91906267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).