oxalic acid;[1-(3-phenylpropyl)piperidin-4-yl]-piperidin-1-ylmethanone

C22H32N2O5 — CID 2903440

IUPACoxalic acid;[1-(3-phenylpropyl)piperidin-4-yl]-piperidin-1-ylmethanone
SMILESO=C(C1CCN(CCCc2ccccc2)CC1)N1CCCCC1.O=C(O)C(=O)O
InChIInChI=1S/C20H30N2O.C2H2O4/c23-20(22-14-5-2-6-15-22)19-11-16-21(17-12-19)13-7-10-18-8-3-1-4-9-18;3-1(4)2(5)6/h1,3-4,8-9,19H,2,5-7,10-17H2;(H,3,4)(H,5,6)
InChIKeyWZZVLZJQYDYOBT-UHFFFAOYSA-N
MW404.51 g/mol
LogP2.50
Rot. Bonds5

About oxalic acid;[1-(3-phenylpropyl)piperidin-4-yl]-piperidin-1-ylmethanone

oxalic acid;[1-(3-phenylpropyl)piperidin-4-yl]-piperidin-1-ylmethanone (PubChem CID 2903440) has the molecular formula C22H32N2O5 and a molecular weight of 404.51 g/mol. Its IUPAC name is oxalic acid;[1-(3-phenylpropyl)piperidin-4-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Nameoxalic acid;[1-(3-phenylpropyl)piperidin-4-yl]-piperidin-1-ylmethanone
PubChem CID2903440
Molecular FormulaC22H32N2O5
Molecular Weight404.51 g/mol
Exact Mass404.23
IUPAC Nameoxalic acid;[1-(3-phenylpropyl)piperidin-4-yl]-piperidin-1-ylmethanone
SMILESO=C(C1CCN(CCCc2ccccc2)CC1)N1CCCCC1.O=C(O)C(=O)O
InChIInChI=1S/C20H30N2O.C2H2O4/c23-20(22-14-5-2-6-15-22)19-11-16-21(17-12-19)13-7-10-18-8-3-1-4-9-18;3-1(4)2(5)6/h1,3-4,8-9,19H,2,5-7,10-17H2;(H,3,4)(H,5,6)
InChIKeyWZZVLZJQYDYOBT-UHFFFAOYSA-N
XLogP2.50
TPSA98.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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;[1-(3-phenylpropyl)piperidin-4-yl]-piperidin-1-ylmethanone?
The IUPAC name of oxalic acid;[1-(3-phenylpropyl)piperidin-4-yl]-piperidin-1-ylmethanone (CID 2903440) is oxalic acid;[1-(3-phenylpropyl)piperidin-4-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for oxalic acid;[1-(3-phenylpropyl)piperidin-4-yl]-piperidin-1-ylmethanone?
The canonical SMILES for oxalic acid;[1-(3-phenylpropyl)piperidin-4-yl]-piperidin-1-ylmethanone is O=C(C1CCN(CCCc2ccccc2)CC1)N1CCCCC1.O=C(O)C(=O)O.
What is the InChIKey of oxalic acid;[1-(3-phenylpropyl)piperidin-4-yl]-piperidin-1-ylmethanone?
The InChIKey is WZZVLZJQYDYOBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O.C2H2O4/c23-20(22-14-5-2-6-15-22)19-11-16-21(17-12-19)13-7-10-18-8-3-1-4-9-18;3-1(4)2(5)6/h1,3-4,8-9,19H,2,5-7,10-17H2;(H,3,4)(H,5,6).
What are the key properties of oxalic acid;[1-(3-phenylpropyl)piperidin-4-yl]-piperidin-1-ylmethanone?
oxalic acid;[1-(3-phenylpropyl)piperidin-4-yl]-piperidin-1-ylmethanone has a molecular weight of 404.51 g/mol, XLogP of 2.50, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxalic acid;[1-(3-phenylpropyl)piperidin-4-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 2903440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).