N-[3-(2,6-dimethylpiperidin-1-yl)propyl]-2,2-bis(4-methoxynaphthalen-1-yl)acetamide

C34H40N2O3 — CID 10098327

IUPACN-[3-(2,6-dimethylpiperidin-1-yl)propyl]-2,2-bis(4-methoxynaphthalen-1-yl)acetamide
SMILESCOc1ccc(C(C(=O)NCCCN2C(C)CCCC2C)c2ccc(OC)c3ccccc23)c2ccccc12
InChIInChI=1S/C34H40N2O3/c1-23-11-9-12-24(2)36(23)22-10-21-35-34(37)33(29-17-19-31(38-3)27-15-7-5-13-25(27)29)30-18-20-32(39-4)28-16-8-6-14-26(28)30/h5-8,13-20,23-24,33H,9-12,21-22H2,1-4H3,(H,35,37)
InChIKeyWJSFCSSZMOGVJK-UHFFFAOYSA-N
MW524.71 g/mol
LogP6.91
Rot. Bonds9

About N-[3-(2,6-dimethylpiperidin-1-yl)propyl]-2,2-bis(4-methoxynaphthalen-1-yl)acetamide

N-[3-(2,6-dimethylpiperidin-1-yl)propyl]-2,2-bis(4-methoxynaphthalen-1-yl)acetamide (PubChem CID 10098327) has the molecular formula C34H40N2O3 and a molecular weight of 524.71 g/mol. Its IUPAC name is N-[3-(2,6-dimethylpiperidin-1-yl)propyl]-2,2-bis(4-methoxynaphthalen-1-yl)acetamide.

Molecular Properties

Compound NameN-[3-(2,6-dimethylpiperidin-1-yl)propyl]-2,2-bis(4-methoxynaphthalen-1-yl)acetamide
PubChem CID10098327
Molecular FormulaC34H40N2O3
Molecular Weight524.71 g/mol
Exact Mass524.30
IUPAC NameN-[3-(2,6-dimethylpiperidin-1-yl)propyl]-2,2-bis(4-methoxynaphthalen-1-yl)acetamide
SMILESCOc1ccc(C(C(=O)NCCCN2C(C)CCCC2C)c2ccc(OC)c3ccccc23)c2ccccc12
InChIInChI=1S/C34H40N2O3/c1-23-11-9-12-24(2)36(23)22-10-21-35-34(37)33(29-17-19-31(38-3)27-15-7-5-13-25(27)29)30-18-20-32(39-4)28-16-8-6-14-26(28)30/h5-8,13-20,23-24,33H,9-12,21-22H2,1-4H3,(H,35,37)
InChIKeyWJSFCSSZMOGVJK-UHFFFAOYSA-N
XLogP6.91
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.71
LogP ≤ 56.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2,6-dimethylpiperidin-1-yl)propyl]-2,2-bis(4-methoxynaphthalen-1-yl)acetamide?
The IUPAC name of N-[3-(2,6-dimethylpiperidin-1-yl)propyl]-2,2-bis(4-methoxynaphthalen-1-yl)acetamide (CID 10098327) is N-[3-(2,6-dimethylpiperidin-1-yl)propyl]-2,2-bis(4-methoxynaphthalen-1-yl)acetamide.
What is the SMILES notation for N-[3-(2,6-dimethylpiperidin-1-yl)propyl]-2,2-bis(4-methoxynaphthalen-1-yl)acetamide?
The canonical SMILES for N-[3-(2,6-dimethylpiperidin-1-yl)propyl]-2,2-bis(4-methoxynaphthalen-1-yl)acetamide is COc1ccc(C(C(=O)NCCCN2C(C)CCCC2C)c2ccc(OC)c3ccccc23)c2ccccc12.
What is the InChIKey of N-[3-(2,6-dimethylpiperidin-1-yl)propyl]-2,2-bis(4-methoxynaphthalen-1-yl)acetamide?
The InChIKey is WJSFCSSZMOGVJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H40N2O3/c1-23-11-9-12-24(2)36(23)22-10-21-35-34(37)33(29-17-19-31(38-3)27-15-7-5-13-25(27)29)30-18-20-32(39-4)28-16-8-6-14-26(28)30/h5-8,13-20,23-24,33H,9-12,21-22H2,1-4H3,(H,35,37).
What are the key properties of N-[3-(2,6-dimethylpiperidin-1-yl)propyl]-2,2-bis(4-methoxynaphthalen-1-yl)acetamide?
N-[3-(2,6-dimethylpiperidin-1-yl)propyl]-2,2-bis(4-methoxynaphthalen-1-yl)acetamide has a molecular weight of 524.71 g/mol, XLogP of 6.91, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,6-dimethylpiperidin-1-yl)propyl]-2,2-bis(4-methoxynaphthalen-1-yl)acetamide is sourced from PubChem (CID 10098327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).