4-[2-(1-acetamidospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl)ethyl]-N,N-dimethylpiperidine-1-carboxamide;molecular hydrogen

C26H42N4O2 — CID 159330542

IUPAC4-[2-(1-acetamidospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl)ethyl]-N,N-dimethylpiperidine-1-carboxamide;molecular hydrogen
SMILESCC(=O)NC1CCC2(CCN(CCC3CCN(C(=O)N(C)C)CC3)CC2)c2ccccc21.[H][H]
InChIInChI=1S/C26H40N4O2.H2/c1-20(31)27-24-8-12-26(23-7-5-4-6-22(23)24)13-18-29(19-14-26)15-9-21-10-16-30(17-11-21)25(32)28(2)3;/h4-7,21,24H,8-19H2,1-3H3,(H,27,31);1H
InChIKeyLEXMDLIKCKHGHM-UHFFFAOYSA-N
MW442.65 g/mol
LogP4.02
Rot. Bonds4

About 4-[2-(1-acetamidospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl)ethyl]-N,N-dimethylpiperidine-1-carboxamide;molecular hydrogen

4-[2-(1-acetamidospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl)ethyl]-N,N-dimethylpiperidine-1-carboxamide;molecular hydrogen (PubChem CID 159330542) has the molecular formula C26H42N4O2 and a molecular weight of 442.65 g/mol. Its IUPAC name is 4-[2-(1-acetamidospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl)ethyl]-N,N-dimethylpiperidine-1-carboxamide;molecular hydrogen.

Molecular Properties

Compound Name4-[2-(1-acetamidospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl)ethyl]-N,N-dimethylpiperidine-1-carboxamide;molecular hydrogen
PubChem CID159330542
Molecular FormulaC26H42N4O2
Molecular Weight442.65 g/mol
Exact Mass442.33
IUPAC Name4-[2-(1-acetamidospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl)ethyl]-N,N-dimethylpiperidine-1-carboxamide;molecular hydrogen
SMILESCC(=O)NC1CCC2(CCN(CCC3CCN(C(=O)N(C)C)CC3)CC2)c2ccccc21.[H][H]
InChIInChI=1S/C26H40N4O2.H2/c1-20(31)27-24-8-12-26(23-7-5-4-6-22(23)24)13-18-29(19-14-26)15-9-21-10-16-30(17-11-21)25(32)28(2)3;/h4-7,21,24H,8-19H2,1-3H3,(H,27,31);1H
InChIKeyLEXMDLIKCKHGHM-UHFFFAOYSA-N
XLogP4.02
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.65
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(1-acetamidospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl)ethyl]-N,N-dimethylpiperidine-1-carboxamide;molecular hydrogen?
The IUPAC name of 4-[2-(1-acetamidospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl)ethyl]-N,N-dimethylpiperidine-1-carboxamide;molecular hydrogen (CID 159330542) is 4-[2-(1-acetamidospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl)ethyl]-N,N-dimethylpiperidine-1-carboxamide;molecular hydrogen.
What is the SMILES notation for 4-[2-(1-acetamidospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl)ethyl]-N,N-dimethylpiperidine-1-carboxamide;molecular hydrogen?
The canonical SMILES for 4-[2-(1-acetamidospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl)ethyl]-N,N-dimethylpiperidine-1-carboxamide;molecular hydrogen is CC(=O)NC1CCC2(CCN(CCC3CCN(C(=O)N(C)C)CC3)CC2)c2ccccc21.[H][H].
What is the InChIKey of 4-[2-(1-acetamidospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl)ethyl]-N,N-dimethylpiperidine-1-carboxamide;molecular hydrogen?
The InChIKey is LEXMDLIKCKHGHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H40N4O2.H2/c1-20(31)27-24-8-12-26(23-7-5-4-6-22(23)24)13-18-29(19-14-26)15-9-21-10-16-30(17-11-21)25(32)28(2)3;/h4-7,21,24H,8-19H2,1-3H3,(H,27,31);1H.
What are the key properties of 4-[2-(1-acetamidospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl)ethyl]-N,N-dimethylpiperidine-1-carboxamide;molecular hydrogen?
4-[2-(1-acetamidospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl)ethyl]-N,N-dimethylpiperidine-1-carboxamide;molecular hydrogen has a molecular weight of 442.65 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1-acetamidospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl)ethyl]-N,N-dimethylpiperidine-1-carboxamide;molecular hydrogen is sourced from PubChem (CID 159330542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).