N-[2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl]naphthalene-1-carboxamide

C31H40N2O2 — CID 22992798

IUPACN-[2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl]naphthalene-1-carboxamide
SMILESCCC1(C)CC(NC(=O)c2cccc3ccccc23)C(C)C(C)(CC)N1OC(C)c1ccccc1
InChIInChI=1S/C31H40N2O2/c1-7-30(5)21-28(32-29(34)27-20-14-18-25-17-12-13-19-26(25)27)22(3)31(6,8-2)33(30)35-23(4)24-15-10-9-11-16-24/h9-20,22-23,28H,7-8,21H2,1-6H3,(H,32,34)
InChIKeyUITPTCBLLXPJNF-UHFFFAOYSA-N
MW472.67 g/mol
LogP7.31
Rot. Bonds7

About N-[2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl]naphthalene-1-carboxamide

N-[2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl]naphthalene-1-carboxamide (PubChem CID 22992798) has the molecular formula C31H40N2O2 and a molecular weight of 472.67 g/mol. Its IUPAC name is N-[2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl]naphthalene-1-carboxamide
PubChem CID22992798
Molecular FormulaC31H40N2O2
Molecular Weight472.67 g/mol
Exact Mass472.31
IUPAC NameN-[2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl]naphthalene-1-carboxamide
SMILESCCC1(C)CC(NC(=O)c2cccc3ccccc23)C(C)C(C)(CC)N1OC(C)c1ccccc1
InChIInChI=1S/C31H40N2O2/c1-7-30(5)21-28(32-29(34)27-20-14-18-25-17-12-13-19-26(25)27)22(3)31(6,8-2)33(30)35-23(4)24-15-10-9-11-16-24/h9-20,22-23,28H,7-8,21H2,1-6H3,(H,32,34)
InChIKeyUITPTCBLLXPJNF-UHFFFAOYSA-N
XLogP7.31
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.67
LogP ≤ 57.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl]naphthalene-1-carboxamide?
The IUPAC name of N-[2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl]naphthalene-1-carboxamide (CID 22992798) is N-[2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl]naphthalene-1-carboxamide.
What is the SMILES notation for N-[2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl]naphthalene-1-carboxamide?
The canonical SMILES for N-[2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl]naphthalene-1-carboxamide is CCC1(C)CC(NC(=O)c2cccc3ccccc23)C(C)C(C)(CC)N1OC(C)c1ccccc1.
What is the InChIKey of N-[2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl]naphthalene-1-carboxamide?
The InChIKey is UITPTCBLLXPJNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H40N2O2/c1-7-30(5)21-28(32-29(34)27-20-14-18-25-17-12-13-19-26(25)27)22(3)31(6,8-2)33(30)35-23(4)24-15-10-9-11-16-24/h9-20,22-23,28H,7-8,21H2,1-6H3,(H,32,34).
What are the key properties of N-[2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl]naphthalene-1-carboxamide?
N-[2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl]naphthalene-1-carboxamide has a molecular weight of 472.67 g/mol, XLogP of 7.31, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl]naphthalene-1-carboxamide is sourced from PubChem (CID 22992798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).