(Z)-4-[cyclopropyl-(1-propylpiperidin-4-yl)amino]-4-oxobut-2-enoic acid

C15H24N2O3 — CID 20788722

IUPAC(Z)-4-[cyclopropyl-(1-propylpiperidin-4-yl)amino]-4-oxobut-2-enoic acid
SMILESCCCN1CCC(N(C(=O)/C=C\C(=O)O)C2CC2)CC1
InChIInChI=1S/C15H24N2O3/c1-2-9-16-10-7-13(8-11-16)17(12-3-4-12)14(18)5-6-15(19)20/h5-6,12-13H,2-4,7-11H2,1H3,(H,19,20)/b6-5-
InChIKeyKCCCCRWBVJBFSI-WAYWQWQTSA-N
MW280.37 g/mol
LogP1.49
Rot. Bonds6

About (Z)-4-[cyclopropyl-(1-propylpiperidin-4-yl)amino]-4-oxobut-2-enoic acid

(Z)-4-[cyclopropyl-(1-propylpiperidin-4-yl)amino]-4-oxobut-2-enoic acid (PubChem CID 20788722) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is (Z)-4-[cyclopropyl-(1-propylpiperidin-4-yl)amino]-4-oxobut-2-enoic acid.

Molecular Properties

Compound Name(Z)-4-[cyclopropyl-(1-propylpiperidin-4-yl)amino]-4-oxobut-2-enoic acid
PubChem CID20788722
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name(Z)-4-[cyclopropyl-(1-propylpiperidin-4-yl)amino]-4-oxobut-2-enoic acid
SMILESCCCN1CCC(N(C(=O)/C=C\C(=O)O)C2CC2)CC1
InChIInChI=1S/C15H24N2O3/c1-2-9-16-10-7-13(8-11-16)17(12-3-4-12)14(18)5-6-15(19)20/h5-6,12-13H,2-4,7-11H2,1H3,(H,19,20)/b6-5-
InChIKeyKCCCCRWBVJBFSI-WAYWQWQTSA-N
XLogP1.49
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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)-4-[cyclopropyl-(1-propylpiperidin-4-yl)amino]-4-oxobut-2-enoic acid?
The IUPAC name of (Z)-4-[cyclopropyl-(1-propylpiperidin-4-yl)amino]-4-oxobut-2-enoic acid (CID 20788722) is (Z)-4-[cyclopropyl-(1-propylpiperidin-4-yl)amino]-4-oxobut-2-enoic acid.
What is the SMILES notation for (Z)-4-[cyclopropyl-(1-propylpiperidin-4-yl)amino]-4-oxobut-2-enoic acid?
The canonical SMILES for (Z)-4-[cyclopropyl-(1-propylpiperidin-4-yl)amino]-4-oxobut-2-enoic acid is CCCN1CCC(N(C(=O)/C=C\C(=O)O)C2CC2)CC1.
What is the InChIKey of (Z)-4-[cyclopropyl-(1-propylpiperidin-4-yl)amino]-4-oxobut-2-enoic acid?
The InChIKey is KCCCCRWBVJBFSI-WAYWQWQTSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-2-9-16-10-7-13(8-11-16)17(12-3-4-12)14(18)5-6-15(19)20/h5-6,12-13H,2-4,7-11H2,1H3,(H,19,20)/b6-5-.
What are the key properties of (Z)-4-[cyclopropyl-(1-propylpiperidin-4-yl)amino]-4-oxobut-2-enoic acid?
(Z)-4-[cyclopropyl-(1-propylpiperidin-4-yl)amino]-4-oxobut-2-enoic acid has a molecular weight of 280.37 g/mol, XLogP of 1.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-[cyclopropyl-(1-propylpiperidin-4-yl)amino]-4-oxobut-2-enoic acid is sourced from PubChem (CID 20788722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).