N-(2,4-dimethoxyphenyl)-3-(2-methylpropylsulfonyl)piperidine-1-carboxamide

C18H28N2O5S — CID 126850554

IUPACN-(2,4-dimethoxyphenyl)-3-(2-methylpropylsulfonyl)piperidine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCCC(S(=O)(=O)CC(C)C)C2)c(OC)c1
InChIInChI=1S/C18H28N2O5S/c1-13(2)12-26(22,23)15-6-5-9-20(11-15)18(21)19-16-8-7-14(24-3)10-17(16)25-4/h7-8,10,13,15H,5-6,9,11-12H2,1-4H3,(H,19,21)
InChIKeyXNWRIVNEMTUFOG-UHFFFAOYSA-N
MW384.50 g/mol
LogP2.77
Rot. Bonds6

About N-(2,4-dimethoxyphenyl)-3-(2-methylpropylsulfonyl)piperidine-1-carboxamide

N-(2,4-dimethoxyphenyl)-3-(2-methylpropylsulfonyl)piperidine-1-carboxamide (PubChem CID 126850554) has the molecular formula C18H28N2O5S and a molecular weight of 384.50 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-3-(2-methylpropylsulfonyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-3-(2-methylpropylsulfonyl)piperidine-1-carboxamide
PubChem CID126850554
Molecular FormulaC18H28N2O5S
Molecular Weight384.50 g/mol
Exact Mass384.17
IUPAC NameN-(2,4-dimethoxyphenyl)-3-(2-methylpropylsulfonyl)piperidine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCCC(S(=O)(=O)CC(C)C)C2)c(OC)c1
InChIInChI=1S/C18H28N2O5S/c1-13(2)12-26(22,23)15-6-5-9-20(11-15)18(21)19-16-8-7-14(24-3)10-17(16)25-4/h7-8,10,13,15H,5-6,9,11-12H2,1-4H3,(H,19,21)
InChIKeyXNWRIVNEMTUFOG-UHFFFAOYSA-N
XLogP2.77
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.50
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,4-dimethoxyphenyl)-3-(6-methoxynaphthalene-2-carbonyl)piperidine-1-carboxamide
CID 45211600
(3S)-N-(2,4-dimethoxyphenyl)-3-(methoxymethyl)pyrrolidine-1-carboxamide
CID 125130524
3-(4-chlorophenyl)sulfonyl-N-(2,4-dimethoxyphenyl)azetidine-1-carboxamide
CID 90595136
N-(2,4-dimethoxyphenyl)-3-(3,4-dimethylanilino)piperidine-1-carboxamide
CID 45245331
(3R)-3-ethoxy-N-(5-methoxy-2-propan-2-yloxyphenyl)piperidine-1-carboxamide
CID 95614996
3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-(2,4-dimethoxyphenyl)piperidine-1-carboxamide
CID 20907631
N-(2,4-dimethoxyphenyl)-4-(trifluoromethyl)piperidine-1-carboxamide
CID 71992851
1-[(2-methoxy-4-phenoxyphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 122087463
(3S)-3-amino-N-(4-methoxy-2-methylphenyl)piperidine-1-carboxamide
CID 125179914
N-(2,4-dimethoxyphenyl)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide
CID 47987007
N-(2,4-dimethoxyphenyl)-3-methyl-4-(4-methylphenyl)piperazine-1-carboxamide
CID 23987261
(3R)-N-(2,4-dimethoxyphenyl)-3-[3-(trifluoromethyl)benzoyl]piperidine-1-carboxamide
CID 25297991

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-3-(2-methylpropylsulfonyl)piperidine-1-carboxamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-3-(2-methylpropylsulfonyl)piperidine-1-carboxamide (CID 126850554) is N-(2,4-dimethoxyphenyl)-3-(2-methylpropylsulfonyl)piperidine-1-carboxamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-3-(2-methylpropylsulfonyl)piperidine-1-carboxamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-3-(2-methylpropylsulfonyl)piperidine-1-carboxamide is COc1ccc(NC(=O)N2CCCC(S(=O)(=O)CC(C)C)C2)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-3-(2-methylpropylsulfonyl)piperidine-1-carboxamide?
The InChIKey is XNWRIVNEMTUFOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O5S/c1-13(2)12-26(22,23)15-6-5-9-20(11-15)18(21)19-16-8-7-14(24-3)10-17(16)25-4/h7-8,10,13,15H,5-6,9,11-12H2,1-4H3,(H,19,21).
What are the key properties of N-(2,4-dimethoxyphenyl)-3-(2-methylpropylsulfonyl)piperidine-1-carboxamide?
N-(2,4-dimethoxyphenyl)-3-(2-methylpropylsulfonyl)piperidine-1-carboxamide has a molecular weight of 384.50 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-3-(2-methylpropylsulfonyl)piperidine-1-carboxamide is sourced from PubChem (CID 126850554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).