N,4,6-trimethyl-N-(2-piperidin-4-ylethyl)cyclohexa-1,5-diene-1-carboxamide

C17H28N2O — CID 154951360

IUPACN,4,6-trimethyl-N-(2-piperidin-4-ylethyl)cyclohexa-1,5-diene-1-carboxamide
SMILESCC1=CC(C)CC=C1C(=O)N(C)CCC1CCNCC1
InChIInChI=1S/C17H28N2O/c1-13-4-5-16(14(2)12-13)17(20)19(3)11-8-15-6-9-18-10-7-15/h5,12-13,15,18H,4,6-11H2,1-3H3
InChIKeyDUCRKIPOLRHOOT-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.75
Rot. Bonds4

About N,4,6-trimethyl-N-(2-piperidin-4-ylethyl)cyclohexa-1,5-diene-1-carboxamide

N,4,6-trimethyl-N-(2-piperidin-4-ylethyl)cyclohexa-1,5-diene-1-carboxamide (PubChem CID 154951360) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is N,4,6-trimethyl-N-(2-piperidin-4-ylethyl)cyclohexa-1,5-diene-1-carboxamide.

Molecular Properties

Compound NameN,4,6-trimethyl-N-(2-piperidin-4-ylethyl)cyclohexa-1,5-diene-1-carboxamide
PubChem CID154951360
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC NameN,4,6-trimethyl-N-(2-piperidin-4-ylethyl)cyclohexa-1,5-diene-1-carboxamide
SMILESCC1=CC(C)CC=C1C(=O)N(C)CCC1CCNCC1
InChIInChI=1S/C17H28N2O/c1-13-4-5-16(14(2)12-13)17(20)19(3)11-8-15-6-9-18-10-7-15/h5,12-13,15,18H,4,6-11H2,1-3H3
InChIKeyDUCRKIPOLRHOOT-UHFFFAOYSA-N
XLogP2.75
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,4,6-trimethyl-N-(2-piperidin-4-ylethyl)cyclohexa-1,5-diene-1-carboxamide?
The IUPAC name of N,4,6-trimethyl-N-(2-piperidin-4-ylethyl)cyclohexa-1,5-diene-1-carboxamide (CID 154951360) is N,4,6-trimethyl-N-(2-piperidin-4-ylethyl)cyclohexa-1,5-diene-1-carboxamide.
What is the SMILES notation for N,4,6-trimethyl-N-(2-piperidin-4-ylethyl)cyclohexa-1,5-diene-1-carboxamide?
The canonical SMILES for N,4,6-trimethyl-N-(2-piperidin-4-ylethyl)cyclohexa-1,5-diene-1-carboxamide is CC1=CC(C)CC=C1C(=O)N(C)CCC1CCNCC1.
What is the InChIKey of N,4,6-trimethyl-N-(2-piperidin-4-ylethyl)cyclohexa-1,5-diene-1-carboxamide?
The InChIKey is DUCRKIPOLRHOOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-13-4-5-16(14(2)12-13)17(20)19(3)11-8-15-6-9-18-10-7-15/h5,12-13,15,18H,4,6-11H2,1-3H3.
What are the key properties of N,4,6-trimethyl-N-(2-piperidin-4-ylethyl)cyclohexa-1,5-diene-1-carboxamide?
N,4,6-trimethyl-N-(2-piperidin-4-ylethyl)cyclohexa-1,5-diene-1-carboxamide has a molecular weight of 276.42 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,4,6-trimethyl-N-(2-piperidin-4-ylethyl)cyclohexa-1,5-diene-1-carboxamide is sourced from PubChem (CID 154951360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).