4-tert-butyl-N-[(4-methoxy-1-methylsulfonylpiperidin-4-yl)methyl]benzamide

C19H30N2O4S — CID 146080554

IUPAC4-tert-butyl-N-[(4-methoxy-1-methylsulfonylpiperidin-4-yl)methyl]benzamide
SMILESCOC1(CNC(=O)c2ccc(C(C)(C)C)cc2)CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C19H30N2O4S/c1-18(2,3)16-8-6-15(7-9-16)17(22)20-14-19(25-4)10-12-21(13-11-19)26(5,23)24/h6-9H,10-14H2,1-5H3,(H,20,22)
InChIKeyMPZSXIMNYDFEJH-UHFFFAOYSA-N
MW382.53 g/mol
LogP2.15
Rot. Bonds5

About 4-tert-butyl-N-[(4-methoxy-1-methylsulfonylpiperidin-4-yl)methyl]benzamide

4-tert-butyl-N-[(4-methoxy-1-methylsulfonylpiperidin-4-yl)methyl]benzamide (PubChem CID 146080554) has the molecular formula C19H30N2O4S and a molecular weight of 382.53 g/mol. Its IUPAC name is 4-tert-butyl-N-[(4-methoxy-1-methylsulfonylpiperidin-4-yl)methyl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[(4-methoxy-1-methylsulfonylpiperidin-4-yl)methyl]benzamide
PubChem CID146080554
Molecular FormulaC19H30N2O4S
Molecular Weight382.53 g/mol
Exact Mass382.19
IUPAC Name4-tert-butyl-N-[(4-methoxy-1-methylsulfonylpiperidin-4-yl)methyl]benzamide
SMILESCOC1(CNC(=O)c2ccc(C(C)(C)C)cc2)CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C19H30N2O4S/c1-18(2,3)16-8-6-15(7-9-16)17(22)20-14-19(25-4)10-12-21(13-11-19)26(5,23)24/h6-9H,10-14H2,1-5H3,(H,20,22)
InChIKeyMPZSXIMNYDFEJH-UHFFFAOYSA-N
XLogP2.15
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.53
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-4-methoxy-N-[(4-methoxy-1-methylsulfonylpiperidin-4-yl)methyl]benzamide
CID 146075050
N-[(4-methoxy-1-methylsulfonylpiperidin-4-yl)methyl]-2,1,3-benzothiadiazole-5-carboxamide
CID 146080605
N-[(4-methoxy-1-methylsulfonylpiperidin-4-yl)methyl]furan-2-carboxamide
CID 146074971
5-bromo-N-[(4-methoxy-1-methylsulfonylpiperidin-4-yl)methyl]furan-2-carboxamide
CID 146075012
N'-(2-cyanophenyl)-N-[(4-methoxy-1-methylsulfonylpiperidin-4-yl)methyl]oxamide
CID 146075191
3-(2-chlorophenyl)-N-[(4-methoxy-1-methylsulfonylpiperidin-4-yl)methyl]prop-2-enamide
CID 171148556
(4-methoxy-1-methylsulfonylpiperidin-4-yl)methanamine
CID 130519310
1-[[(4-tert-butylbenzoyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 115449901
4-cyclopentylsulfonyl-N-[(1-methoxycyclohexyl)methyl]benzamide
CID 126789437
4-chloro-N-[(1-methoxycyclobutyl)methyl]-3-sulfamoylbenzamide
CID 103991217
4-fluoro-N-[(4-methoxy-1-methylsulfonylpiperidin-4-yl)methyl]-2-methylbenzenesulfonamide
CID 146075214
N-[(3-methoxyoxolan-3-yl)methyl]-4-sulfamoylbenzamide
CID 104764689

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[(4-methoxy-1-methylsulfonylpiperidin-4-yl)methyl]benzamide?
The IUPAC name of 4-tert-butyl-N-[(4-methoxy-1-methylsulfonylpiperidin-4-yl)methyl]benzamide (CID 146080554) is 4-tert-butyl-N-[(4-methoxy-1-methylsulfonylpiperidin-4-yl)methyl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[(4-methoxy-1-methylsulfonylpiperidin-4-yl)methyl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[(4-methoxy-1-methylsulfonylpiperidin-4-yl)methyl]benzamide is COC1(CNC(=O)c2ccc(C(C)(C)C)cc2)CCN(S(C)(=O)=O)CC1.
What is the InChIKey of 4-tert-butyl-N-[(4-methoxy-1-methylsulfonylpiperidin-4-yl)methyl]benzamide?
The InChIKey is MPZSXIMNYDFEJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O4S/c1-18(2,3)16-8-6-15(7-9-16)17(22)20-14-19(25-4)10-12-21(13-11-19)26(5,23)24/h6-9H,10-14H2,1-5H3,(H,20,22).
What are the key properties of 4-tert-butyl-N-[(4-methoxy-1-methylsulfonylpiperidin-4-yl)methyl]benzamide?
4-tert-butyl-N-[(4-methoxy-1-methylsulfonylpiperidin-4-yl)methyl]benzamide has a molecular weight of 382.53 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[(4-methoxy-1-methylsulfonylpiperidin-4-yl)methyl]benzamide is sourced from PubChem (CID 146080554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).