N-(4-methylphenyl)-4-(1-methylsulfonylpiperidin-4-yl)oxypiperidine-1-carboxamide

C19H29N3O4S — CID 91906262

IUPACN-(4-methylphenyl)-4-(1-methylsulfonylpiperidin-4-yl)oxypiperidine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCC(OC3CCN(S(C)(=O)=O)CC3)CC2)cc1
InChIInChI=1S/C19H29N3O4S/c1-15-3-5-16(6-4-15)20-19(23)21-11-7-17(8-12-21)26-18-9-13-22(14-10-18)27(2,24)25/h3-6,17-18H,7-14H2,1-2H3,(H,20,23)
InChIKeyRTFWYASPHHITNJ-UHFFFAOYSA-N
MW395.53 g/mol
LogP2.43
Rot. Bonds4

About N-(4-methylphenyl)-4-(1-methylsulfonylpiperidin-4-yl)oxypiperidine-1-carboxamide

N-(4-methylphenyl)-4-(1-methylsulfonylpiperidin-4-yl)oxypiperidine-1-carboxamide (PubChem CID 91906262) has the molecular formula C19H29N3O4S and a molecular weight of 395.53 g/mol. Its IUPAC name is N-(4-methylphenyl)-4-(1-methylsulfonylpiperidin-4-yl)oxypiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-4-(1-methylsulfonylpiperidin-4-yl)oxypiperidine-1-carboxamide
PubChem CID91906262
Molecular FormulaC19H29N3O4S
Molecular Weight395.53 g/mol
Exact Mass395.19
IUPAC NameN-(4-methylphenyl)-4-(1-methylsulfonylpiperidin-4-yl)oxypiperidine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCC(OC3CCN(S(C)(=O)=O)CC3)CC2)cc1
InChIInChI=1S/C19H29N3O4S/c1-15-3-5-16(6-4-15)20-19(23)21-11-7-17(8-12-21)26-18-9-13-22(14-10-18)27(2,24)25/h3-6,17-18H,7-14H2,1-2H3,(H,20,23)
InChIKeyRTFWYASPHHITNJ-UHFFFAOYSA-N
XLogP2.43
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.53
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-4-(1-methylsulfonylpiperidin-4-yl)oxypiperidine-1-carboxamide?
The IUPAC name of N-(4-methylphenyl)-4-(1-methylsulfonylpiperidin-4-yl)oxypiperidine-1-carboxamide (CID 91906262) is N-(4-methylphenyl)-4-(1-methylsulfonylpiperidin-4-yl)oxypiperidine-1-carboxamide.
What is the SMILES notation for N-(4-methylphenyl)-4-(1-methylsulfonylpiperidin-4-yl)oxypiperidine-1-carboxamide?
The canonical SMILES for N-(4-methylphenyl)-4-(1-methylsulfonylpiperidin-4-yl)oxypiperidine-1-carboxamide is Cc1ccc(NC(=O)N2CCC(OC3CCN(S(C)(=O)=O)CC3)CC2)cc1.
What is the InChIKey of N-(4-methylphenyl)-4-(1-methylsulfonylpiperidin-4-yl)oxypiperidine-1-carboxamide?
The InChIKey is RTFWYASPHHITNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O4S/c1-15-3-5-16(6-4-15)20-19(23)21-11-7-17(8-12-21)26-18-9-13-22(14-10-18)27(2,24)25/h3-6,17-18H,7-14H2,1-2H3,(H,20,23).
What are the key properties of N-(4-methylphenyl)-4-(1-methylsulfonylpiperidin-4-yl)oxypiperidine-1-carboxamide?
N-(4-methylphenyl)-4-(1-methylsulfonylpiperidin-4-yl)oxypiperidine-1-carboxamide has a molecular weight of 395.53 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-4-(1-methylsulfonylpiperidin-4-yl)oxypiperidine-1-carboxamide is sourced from PubChem (CID 91906262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).