N,N-diethyl-2-(4-piperidin-1-ylpiperidin-1-yl)acetamide;oxalic acid

C18H33N3O5 — CID 171668876

IUPACN,N-diethyl-2-(4-piperidin-1-ylpiperidin-1-yl)acetamide;oxalic acid
SMILESCCN(CC)C(=O)CN1CCC(N2CCCCC2)CC1.O=C(O)C(=O)O
InChIInChI=1S/C16H31N3O.C2H2O4/c1-3-18(4-2)16(20)14-17-12-8-15(9-13-17)19-10-6-5-7-11-19;3-1(4)2(5)6/h15H,3-14H2,1-2H3;(H,3,4)(H,5,6)
InChIKeyLUZNXZRZVKUAQE-UHFFFAOYSA-N
MW371.48 g/mol
LogP0.96
Rot. Bonds5

About N,N-diethyl-2-(4-piperidin-1-ylpiperidin-1-yl)acetamide;oxalic acid

N,N-diethyl-2-(4-piperidin-1-ylpiperidin-1-yl)acetamide;oxalic acid (PubChem CID 171668876) has the molecular formula C18H33N3O5 and a molecular weight of 371.48 g/mol. Its IUPAC name is N,N-diethyl-2-(4-piperidin-1-ylpiperidin-1-yl)acetamide;oxalic acid.

Molecular Properties

Compound NameN,N-diethyl-2-(4-piperidin-1-ylpiperidin-1-yl)acetamide;oxalic acid
PubChem CID171668876
Molecular FormulaC18H33N3O5
Molecular Weight371.48 g/mol
Exact Mass371.24
IUPAC NameN,N-diethyl-2-(4-piperidin-1-ylpiperidin-1-yl)acetamide;oxalic acid
SMILESCCN(CC)C(=O)CN1CCC(N2CCCCC2)CC1.O=C(O)C(=O)O
InChIInChI=1S/C16H31N3O.C2H2O4/c1-3-18(4-2)16(20)14-17-12-8-15(9-13-17)19-10-6-5-7-11-19;3-1(4)2(5)6/h15H,3-14H2,1-2H3;(H,3,4)(H,5,6)
InChIKeyLUZNXZRZVKUAQE-UHFFFAOYSA-N
XLogP0.96
TPSA101.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-(4-piperidin-1-ylpiperidin-1-yl)acetamide;oxalic acid?
The IUPAC name of N,N-diethyl-2-(4-piperidin-1-ylpiperidin-1-yl)acetamide;oxalic acid (CID 171668876) is N,N-diethyl-2-(4-piperidin-1-ylpiperidin-1-yl)acetamide;oxalic acid.
What is the SMILES notation for N,N-diethyl-2-(4-piperidin-1-ylpiperidin-1-yl)acetamide;oxalic acid?
The canonical SMILES for N,N-diethyl-2-(4-piperidin-1-ylpiperidin-1-yl)acetamide;oxalic acid is CCN(CC)C(=O)CN1CCC(N2CCCCC2)CC1.O=C(O)C(=O)O.
What is the InChIKey of N,N-diethyl-2-(4-piperidin-1-ylpiperidin-1-yl)acetamide;oxalic acid?
The InChIKey is LUZNXZRZVKUAQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O.C2H2O4/c1-3-18(4-2)16(20)14-17-12-8-15(9-13-17)19-10-6-5-7-11-19;3-1(4)2(5)6/h15H,3-14H2,1-2H3;(H,3,4)(H,5,6).
What are the key properties of N,N-diethyl-2-(4-piperidin-1-ylpiperidin-1-yl)acetamide;oxalic acid?
N,N-diethyl-2-(4-piperidin-1-ylpiperidin-1-yl)acetamide;oxalic acid has a molecular weight of 371.48 g/mol, XLogP of 0.96, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-(4-piperidin-1-ylpiperidin-1-yl)acetamide;oxalic acid is sourced from PubChem (CID 171668876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).