N-methyl-4-(2,3,4,5,6-pentamethylbenzoyl)piperidine-1-carboxamide

C19H28N2O2 — CID 2805775

IUPACN-methyl-4-(2,3,4,5,6-pentamethylbenzoyl)piperidine-1-carboxamide
SMILESCNC(=O)N1CCC(C(=O)c2c(C)c(C)c(C)c(C)c2C)CC1
InChIInChI=1S/C19H28N2O2/c1-11-12(2)14(4)17(15(5)13(11)3)18(22)16-7-9-21(10-8-16)19(23)20-6/h16H,7-10H2,1-6H3,(H,20,23)
InChIKeyGXQLKKQCNNLQRU-UHFFFAOYSA-N
MW316.45 g/mol
LogP3.46
Rot. Bonds2

About N-methyl-4-(2,3,4,5,6-pentamethylbenzoyl)piperidine-1-carboxamide

N-methyl-4-(2,3,4,5,6-pentamethylbenzoyl)piperidine-1-carboxamide (PubChem CID 2805775) has the molecular formula C19H28N2O2 and a molecular weight of 316.45 g/mol. Its IUPAC name is N-methyl-4-(2,3,4,5,6-pentamethylbenzoyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-methyl-4-(2,3,4,5,6-pentamethylbenzoyl)piperidine-1-carboxamide
PubChem CID2805775
Molecular FormulaC19H28N2O2
Molecular Weight316.45 g/mol
Exact Mass316.22
IUPAC NameN-methyl-4-(2,3,4,5,6-pentamethylbenzoyl)piperidine-1-carboxamide
SMILESCNC(=O)N1CCC(C(=O)c2c(C)c(C)c(C)c(C)c2C)CC1
InChIInChI=1S/C19H28N2O2/c1-11-12(2)14(4)17(15(5)13(11)3)18(22)16-7-9-21(10-8-16)19(23)20-6/h16H,7-10H2,1-6H3,(H,20,23)
InChIKeyGXQLKKQCNNLQRU-UHFFFAOYSA-N
XLogP3.46
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(2,3,4,5,6-pentamethylbenzoyl)piperidine-1-carboxamide?
The IUPAC name of N-methyl-4-(2,3,4,5,6-pentamethylbenzoyl)piperidine-1-carboxamide (CID 2805775) is N-methyl-4-(2,3,4,5,6-pentamethylbenzoyl)piperidine-1-carboxamide.
What is the SMILES notation for N-methyl-4-(2,3,4,5,6-pentamethylbenzoyl)piperidine-1-carboxamide?
The canonical SMILES for N-methyl-4-(2,3,4,5,6-pentamethylbenzoyl)piperidine-1-carboxamide is CNC(=O)N1CCC(C(=O)c2c(C)c(C)c(C)c(C)c2C)CC1.
What is the InChIKey of N-methyl-4-(2,3,4,5,6-pentamethylbenzoyl)piperidine-1-carboxamide?
The InChIKey is GXQLKKQCNNLQRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-11-12(2)14(4)17(15(5)13(11)3)18(22)16-7-9-21(10-8-16)19(23)20-6/h16H,7-10H2,1-6H3,(H,20,23).
What are the key properties of N-methyl-4-(2,3,4,5,6-pentamethylbenzoyl)piperidine-1-carboxamide?
N-methyl-4-(2,3,4,5,6-pentamethylbenzoyl)piperidine-1-carboxamide has a molecular weight of 316.45 g/mol, XLogP of 3.46, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(2,3,4,5,6-pentamethylbenzoyl)piperidine-1-carboxamide is sourced from PubChem (CID 2805775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).