(Z)-but-2-enedioic acid;2-(pyrrolidin-1-ylmethyl)piperidine

C14H24N2O4 — CID 70383224

IUPAC(Z)-but-2-enedioic acid;2-(pyrrolidin-1-ylmethyl)piperidine
SMILESC1CCC(CN2CCCC2)NC1.O=C(O)/C=C\C(=O)O
InChIInChI=1S/C10H20N2.C4H4O4/c1-2-6-11-10(5-1)9-12-7-3-4-8-12;5-3(6)1-2-4(7)8/h10-11H,1-9H2;1-2H,(H,5,6)(H,7,8)/b;2-1-
InChIKeyKAODRTFTGGGYJI-BTJKTKAUSA-N
MW284.36 g/mol
LogP0.94
Rot. Bonds4

About (Z)-but-2-enedioic acid;2-(pyrrolidin-1-ylmethyl)piperidine

(Z)-but-2-enedioic acid;2-(pyrrolidin-1-ylmethyl)piperidine (PubChem CID 70383224) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is (Z)-but-2-enedioic acid;2-(pyrrolidin-1-ylmethyl)piperidine.

Molecular Properties

Compound Name(Z)-but-2-enedioic acid;2-(pyrrolidin-1-ylmethyl)piperidine
PubChem CID70383224
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Name(Z)-but-2-enedioic acid;2-(pyrrolidin-1-ylmethyl)piperidine
SMILESC1CCC(CN2CCCC2)NC1.O=C(O)/C=C\C(=O)O
InChIInChI=1S/C10H20N2.C4H4O4/c1-2-6-11-10(5-1)9-12-7-3-4-8-12;5-3(6)1-2-4(7)8/h10-11H,1-9H2;1-2H,(H,5,6)(H,7,8)/b;2-1-
InChIKeyKAODRTFTGGGYJI-BTJKTKAUSA-N
XLogP0.94
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 50.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (Z)-but-2-enedioic acid;2-(pyrrolidin-1-ylmethyl)piperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(4-bromophenyl)prop-2-enoic acid;1-(pyrrolidin-2-ylmethyl)piperidine
CID 69356502
1-[[(2R)-piperidin-2-yl]methyl]piperidin-4-ol
CID 86323612
ethane;propane;1-(pyrrolidin-2-ylmethyl)pyrrolidine
CID 143192100
2-[4-[[(2S)-piperidin-2-yl]methyl]piperazin-1-yl]ethanol
CID 97109268
4-[[(2R)-piperidin-2-yl]methyl]thiomorpholine
CID 28787643
4-methyl-1-[[(2S)-piperidin-2-yl]methyl]piperidine
CID 7141723
(Z)-4-pyrrolidin-2-ylbut-2-enoic acid
CID 117266194
2-[4-(piperidin-2-ylmethyl)piperazin-1-yl]ethanol;dihydrochloride
CID 53408908
2-[4-(piperidin-2-ylmethyl)piperazin-1-yl]ethanol;hydrochloride
CID 156593490
1-(azepan-2-ylmethyl)-4-methylazepane
CID 64570778
1-methylsulfonyl-4-(piperidin-2-ylmethyl)piperazine
CID 62992754
1-(pyrrolidin-2-ylmethyl)piperazine
CID 53406264

Frequently Asked Questions

What is the IUPAC name of (Z)-but-2-enedioic acid;2-(pyrrolidin-1-ylmethyl)piperidine?
The IUPAC name of (Z)-but-2-enedioic acid;2-(pyrrolidin-1-ylmethyl)piperidine (CID 70383224) is (Z)-but-2-enedioic acid;2-(pyrrolidin-1-ylmethyl)piperidine.
What is the SMILES notation for (Z)-but-2-enedioic acid;2-(pyrrolidin-1-ylmethyl)piperidine?
The canonical SMILES for (Z)-but-2-enedioic acid;2-(pyrrolidin-1-ylmethyl)piperidine is C1CCC(CN2CCCC2)NC1.O=C(O)/C=C\C(=O)O.
What is the InChIKey of (Z)-but-2-enedioic acid;2-(pyrrolidin-1-ylmethyl)piperidine?
The InChIKey is KAODRTFTGGGYJI-BTJKTKAUSA-N. The full InChI is InChI=1S/C10H20N2.C4H4O4/c1-2-6-11-10(5-1)9-12-7-3-4-8-12;5-3(6)1-2-4(7)8/h10-11H,1-9H2;1-2H,(H,5,6)(H,7,8)/b;2-1-.
What are the key properties of (Z)-but-2-enedioic acid;2-(pyrrolidin-1-ylmethyl)piperidine?
(Z)-but-2-enedioic acid;2-(pyrrolidin-1-ylmethyl)piperidine has a molecular weight of 284.36 g/mol, XLogP of 0.94, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-but-2-enedioic acid;2-(pyrrolidin-1-ylmethyl)piperidine is sourced from PubChem (CID 70383224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).