buta-1,3-diene;2-phenyl-N-piperidin-4-yl-N-prop-2-enylacetamide;propane

C23H36N2O — CID 142909540

IUPACbuta-1,3-diene;2-phenyl-N-piperidin-4-yl-N-prop-2-enylacetamide;propane
SMILESC=CC=C.C=CCN(C(=O)Cc1ccccc1)C1CCNCC1.CCC
InChIInChI=1S/C16H22N2O.C4H6.C3H8/c1-2-12-18(15-8-10-17-11-9-15)16(19)13-14-6-4-3-5-7-14;1-3-4-2;1-3-2/h2-7,15,17H,1,8-13H2;3-4H,1-2H2;3H2,1-2H3
InChIKeyXPUYWXDEDSQROI-UHFFFAOYSA-N
MW356.55 g/mol
LogP4.77
Rot. Bonds6

About buta-1,3-diene;2-phenyl-N-piperidin-4-yl-N-prop-2-enylacetamide;propane

buta-1,3-diene;2-phenyl-N-piperidin-4-yl-N-prop-2-enylacetamide;propane (PubChem CID 142909540) has the molecular formula C23H36N2O and a molecular weight of 356.55 g/mol. Its IUPAC name is buta-1,3-diene;2-phenyl-N-piperidin-4-yl-N-prop-2-enylacetamide;propane.

Molecular Properties

Compound Namebuta-1,3-diene;2-phenyl-N-piperidin-4-yl-N-prop-2-enylacetamide;propane
PubChem CID142909540
Molecular FormulaC23H36N2O
Molecular Weight356.55 g/mol
Exact Mass356.28
IUPAC Namebuta-1,3-diene;2-phenyl-N-piperidin-4-yl-N-prop-2-enylacetamide;propane
SMILESC=CC=C.C=CCN(C(=O)Cc1ccccc1)C1CCNCC1.CCC
InChIInChI=1S/C16H22N2O.C4H6.C3H8/c1-2-12-18(15-8-10-17-11-9-15)16(19)13-14-6-4-3-5-7-14;1-3-4-2;1-3-2/h2-7,15,17H,1,8-13H2;3-4H,1-2H2;3H2,1-2H3
InChIKeyXPUYWXDEDSQROI-UHFFFAOYSA-N
XLogP4.77
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.55
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze buta-1,3-diene;2-phenyl-N-piperidin-4-yl-N-prop-2-enylacetamide;propane 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

2-phenyl-N-(2-phenylacetyl)-N-piperidin-4-ylacetamide
CID 173425249
2-phenyl-N-propyl-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119532603
N-methyl-2-(4-phenylphenyl)-N-piperidin-4-ylacetamide;hydrochloride
CID 119441133
benzyl(piperidin-4-yl)carbamic acid
CID 54298382
2-(4-chlorophenyl)-N-ethyl-N-piperidin-4-ylacetamide
CID 60806745
N-ethyl-2-(4-hydroxyphenyl)-N-pyrrolidin-3-ylacetamide
CID 60807189
N-[3-hydroxy-3-phenyl-5-[4-[(2-phenylacetyl)-prop-2-enylamino]piperidin-1-yl]pentyl]-2,2-dimethylpropanamide
CID 89231029
2-phenyl-N-(piperidin-4-ylmethyl)-N-propylacetamide
CID 79720329
2-(4-methoxyphenyl)-N-(1-methylpiperidin-4-yl)-N-prop-2-enylacetamide
CID 89167069
N-benzyl-N-methyl-2-[methyl(piperidin-4-yl)amino]acetamide;hydrochloride
CID 119912897
N-ethyl-N-piperidin-4-ylpent-4-enamide
CID 62679497
2-[cyclopentyl-(2-phenylacetyl)amino]acetic acid
CID 54926378

Frequently Asked Questions

What is the IUPAC name of buta-1,3-diene;2-phenyl-N-piperidin-4-yl-N-prop-2-enylacetamide;propane?
The IUPAC name of buta-1,3-diene;2-phenyl-N-piperidin-4-yl-N-prop-2-enylacetamide;propane (CID 142909540) is buta-1,3-diene;2-phenyl-N-piperidin-4-yl-N-prop-2-enylacetamide;propane.
What is the SMILES notation for buta-1,3-diene;2-phenyl-N-piperidin-4-yl-N-prop-2-enylacetamide;propane?
The canonical SMILES for buta-1,3-diene;2-phenyl-N-piperidin-4-yl-N-prop-2-enylacetamide;propane is C=CC=C.C=CCN(C(=O)Cc1ccccc1)C1CCNCC1.CCC.
What is the InChIKey of buta-1,3-diene;2-phenyl-N-piperidin-4-yl-N-prop-2-enylacetamide;propane?
The InChIKey is XPUYWXDEDSQROI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O.C4H6.C3H8/c1-2-12-18(15-8-10-17-11-9-15)16(19)13-14-6-4-3-5-7-14;1-3-4-2;1-3-2/h2-7,15,17H,1,8-13H2;3-4H,1-2H2;3H2,1-2H3.
What are the key properties of buta-1,3-diene;2-phenyl-N-piperidin-4-yl-N-prop-2-enylacetamide;propane?
buta-1,3-diene;2-phenyl-N-piperidin-4-yl-N-prop-2-enylacetamide;propane has a molecular weight of 356.55 g/mol, XLogP of 4.77, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for buta-1,3-diene;2-phenyl-N-piperidin-4-yl-N-prop-2-enylacetamide;propane is sourced from PubChem (CID 142909540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).