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

C20H37N3O5 — CID 171668887

IUPACoxalic acid;2-(4-piperidin-1-ylpiperidin-1-yl)-N,N-di(propan-2-yl)acetamide
SMILESCC(C)N(C(=O)CN1CCC(N2CCCCC2)CC1)C(C)C.O=C(O)C(=O)O
InChIInChI=1S/C18H35N3O.C2H2O4/c1-15(2)21(16(3)4)18(22)14-19-12-8-17(9-13-19)20-10-6-5-7-11-20;3-1(4)2(5)6/h15-17H,5-14H2,1-4H3;(H,3,4)(H,5,6)
InChIKeyKYEOCWJIPKXTQM-UHFFFAOYSA-N
MW399.53 g/mol
LogP1.74
Rot. Bonds5

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

oxalic acid;2-(4-piperidin-1-ylpiperidin-1-yl)-N,N-di(propan-2-yl)acetamide (PubChem CID 171668887) has the molecular formula C20H37N3O5 and a molecular weight of 399.53 g/mol. Its IUPAC name is oxalic acid;2-(4-piperidin-1-ylpiperidin-1-yl)-N,N-di(propan-2-yl)acetamide.

Molecular Properties

Compound Nameoxalic acid;2-(4-piperidin-1-ylpiperidin-1-yl)-N,N-di(propan-2-yl)acetamide
PubChem CID171668887
Molecular FormulaC20H37N3O5
Molecular Weight399.53 g/mol
Exact Mass399.27
IUPAC Nameoxalic acid;2-(4-piperidin-1-ylpiperidin-1-yl)-N,N-di(propan-2-yl)acetamide
SMILESCC(C)N(C(=O)CN1CCC(N2CCCCC2)CC1)C(C)C.O=C(O)C(=O)O
InChIInChI=1S/C18H35N3O.C2H2O4/c1-15(2)21(16(3)4)18(22)14-19-12-8-17(9-13-19)20-10-6-5-7-11-20;3-1(4)2(5)6/h15-17H,5-14H2,1-4H3;(H,3,4)(H,5,6)
InChIKeyKYEOCWJIPKXTQM-UHFFFAOYSA-N
XLogP1.74
TPSA101.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.53
LogP ≤ 51.74
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 oxalic acid;2-(4-piperidin-1-ylpiperidin-1-yl)-N,N-di(propan-2-yl)acetamide?
The IUPAC name of oxalic acid;2-(4-piperidin-1-ylpiperidin-1-yl)-N,N-di(propan-2-yl)acetamide (CID 171668887) is oxalic acid;2-(4-piperidin-1-ylpiperidin-1-yl)-N,N-di(propan-2-yl)acetamide.
What is the SMILES notation for oxalic acid;2-(4-piperidin-1-ylpiperidin-1-yl)-N,N-di(propan-2-yl)acetamide?
The canonical SMILES for oxalic acid;2-(4-piperidin-1-ylpiperidin-1-yl)-N,N-di(propan-2-yl)acetamide is CC(C)N(C(=O)CN1CCC(N2CCCCC2)CC1)C(C)C.O=C(O)C(=O)O.
What is the InChIKey of oxalic acid;2-(4-piperidin-1-ylpiperidin-1-yl)-N,N-di(propan-2-yl)acetamide?
The InChIKey is KYEOCWJIPKXTQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N3O.C2H2O4/c1-15(2)21(16(3)4)18(22)14-19-12-8-17(9-13-19)20-10-6-5-7-11-20;3-1(4)2(5)6/h15-17H,5-14H2,1-4H3;(H,3,4)(H,5,6).
What are the key properties of oxalic acid;2-(4-piperidin-1-ylpiperidin-1-yl)-N,N-di(propan-2-yl)acetamide?
oxalic acid;2-(4-piperidin-1-ylpiperidin-1-yl)-N,N-di(propan-2-yl)acetamide has a molecular weight of 399.53 g/mol, XLogP of 1.74, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for oxalic acid;2-(4-piperidin-1-ylpiperidin-1-yl)-N,N-di(propan-2-yl)acetamide is sourced from PubChem (CID 171668887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).