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

C30H38N2O2 — CID 22992804

IUPACN-[2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)piperidin-4-yl]naphthalene-1-carboxamide
SMILESCCC1(CC)CC(NC(=O)c2cccc3ccccc23)CC(C)(C)N1OC(C)c1ccccc1
InChIInChI=1S/C30H38N2O2/c1-6-30(7-2)21-25(31-28(33)27-19-13-17-24-16-11-12-18-26(24)27)20-29(4,5)32(30)34-22(3)23-14-9-8-10-15-23/h8-19,22,25H,6-7,20-21H2,1-5H3,(H,31,33)
InChIKeyINQLFSFPVIHKCV-UHFFFAOYSA-N
MW458.65 g/mol
LogP7.06
Rot. Bonds7

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

N-[2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)piperidin-4-yl]naphthalene-1-carboxamide (PubChem CID 22992804) has the molecular formula C30H38N2O2 and a molecular weight of 458.65 g/mol. Its IUPAC name is N-[2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)piperidin-4-yl]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)piperidin-4-yl]naphthalene-1-carboxamide
PubChem CID22992804
Molecular FormulaC30H38N2O2
Molecular Weight458.65 g/mol
Exact Mass458.29
IUPAC NameN-[2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)piperidin-4-yl]naphthalene-1-carboxamide
SMILESCCC1(CC)CC(NC(=O)c2cccc3ccccc23)CC(C)(C)N1OC(C)c1ccccc1
InChIInChI=1S/C30H38N2O2/c1-6-30(7-2)21-25(31-28(33)27-19-13-17-24-16-11-12-18-26(24)27)20-29(4,5)32(30)34-22(3)23-14-9-8-10-15-23/h8-19,22,25H,6-7,20-21H2,1-5H3,(H,31,33)
InChIKeyINQLFSFPVIHKCV-UHFFFAOYSA-N
XLogP7.06
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.65
LogP ≤ 57.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)piperidin-4-yl]naphthalene-1-carboxamide?
The IUPAC name of N-[2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)piperidin-4-yl]naphthalene-1-carboxamide (CID 22992804) is N-[2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)piperidin-4-yl]naphthalene-1-carboxamide.
What is the SMILES notation for N-[2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)piperidin-4-yl]naphthalene-1-carboxamide?
The canonical SMILES for N-[2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)piperidin-4-yl]naphthalene-1-carboxamide is CCC1(CC)CC(NC(=O)c2cccc3ccccc23)CC(C)(C)N1OC(C)c1ccccc1.
What is the InChIKey of N-[2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)piperidin-4-yl]naphthalene-1-carboxamide?
The InChIKey is INQLFSFPVIHKCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H38N2O2/c1-6-30(7-2)21-25(31-28(33)27-19-13-17-24-16-11-12-18-26(24)27)20-29(4,5)32(30)34-22(3)23-14-9-8-10-15-23/h8-19,22,25H,6-7,20-21H2,1-5H3,(H,31,33).
What are the key properties of N-[2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)piperidin-4-yl]naphthalene-1-carboxamide?
N-[2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)piperidin-4-yl]naphthalene-1-carboxamide has a molecular weight of 458.65 g/mol, XLogP of 7.06, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)piperidin-4-yl]naphthalene-1-carboxamide is sourced from PubChem (CID 22992804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).