(Z)-but-2-enedioic acid;piperidine-4-carboxamide

C10H16N2O5 — CID 68978546

IUPAC(Z)-but-2-enedioic acid;piperidine-4-carboxamide
SMILESNC(=O)C1CCNCC1.O=C(O)/C=C\C(=O)O
InChIInChI=1S/C6H12N2O.C4H4O4/c7-6(9)5-1-3-8-4-2-5;5-3(6)1-2-4(7)8/h5,8H,1-4H2,(H2,7,9);1-2H,(H,5,6)(H,7,8)/b;2-1-
InChIKeyNEGONRLEGVYZAG-BTJKTKAUSA-N
MW244.25 g/mol
LogP-0.82
Rot. Bonds3

About (Z)-but-2-enedioic acid;piperidine-4-carboxamide

(Z)-but-2-enedioic acid;piperidine-4-carboxamide (PubChem CID 68978546) has the molecular formula C10H16N2O5 and a molecular weight of 244.25 g/mol. Its IUPAC name is (Z)-but-2-enedioic acid;piperidine-4-carboxamide.

Molecular Properties

Compound Name(Z)-but-2-enedioic acid;piperidine-4-carboxamide
PubChem CID68978546
Molecular FormulaC10H16N2O5
Molecular Weight244.25 g/mol
Exact Mass244.11
IUPAC Name(Z)-but-2-enedioic acid;piperidine-4-carboxamide
SMILESNC(=O)C1CCNCC1.O=C(O)/C=C\C(=O)O
InChIInChI=1S/C6H12N2O.C4H4O4/c7-6(9)5-1-3-8-4-2-5;5-3(6)1-2-4(7)8/h5,8H,1-4H2,(H2,7,9);1-2H,(H,5,6)(H,7,8)/b;2-1-
InChIKeyNEGONRLEGVYZAG-BTJKTKAUSA-N
XLogP-0.82
TPSA129.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 5-0.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-but-2-enedioic acid;piperidine-4-carboxamide?
The IUPAC name of (Z)-but-2-enedioic acid;piperidine-4-carboxamide (CID 68978546) is (Z)-but-2-enedioic acid;piperidine-4-carboxamide.
What is the SMILES notation for (Z)-but-2-enedioic acid;piperidine-4-carboxamide?
The canonical SMILES for (Z)-but-2-enedioic acid;piperidine-4-carboxamide is NC(=O)C1CCNCC1.O=C(O)/C=C\C(=O)O.
What is the InChIKey of (Z)-but-2-enedioic acid;piperidine-4-carboxamide?
The InChIKey is NEGONRLEGVYZAG-BTJKTKAUSA-N. The full InChI is InChI=1S/C6H12N2O.C4H4O4/c7-6(9)5-1-3-8-4-2-5;5-3(6)1-2-4(7)8/h5,8H,1-4H2,(H2,7,9);1-2H,(H,5,6)(H,7,8)/b;2-1-.
What are the key properties of (Z)-but-2-enedioic acid;piperidine-4-carboxamide?
(Z)-but-2-enedioic acid;piperidine-4-carboxamide has a molecular weight of 244.25 g/mol, XLogP of -0.82, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-but-2-enedioic acid;piperidine-4-carboxamide is sourced from PubChem (CID 68978546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).