N-[2-methyl-3-(2-methyl-1,3-dioxolan-2-yl)propyl]-1-(3-phenylprop-2-enoyl)piperidine-4-carboxamide

C23H32N2O4 — CID 76854172

IUPACN-[2-methyl-3-(2-methyl-1,3-dioxolan-2-yl)propyl]-1-(3-phenylprop-2-enoyl)piperidine-4-carboxamide
SMILESCC(CNC(=O)C1CCN(C(=O)C=Cc2ccccc2)CC1)CC1(C)OCCO1
InChIInChI=1S/C23H32N2O4/c1-18(16-23(2)28-14-15-29-23)17-24-22(27)20-10-12-25(13-11-20)21(26)9-8-19-6-4-3-5-7-19/h3-9,18,20H,10-17H2,1-2H3,(H,24,27)
InChIKeyOZKCFBIOGGUJOU-UHFFFAOYSA-N
MW400.52 g/mol
LogP2.84
Rot. Bonds7

About N-[2-methyl-3-(2-methyl-1,3-dioxolan-2-yl)propyl]-1-(3-phenylprop-2-enoyl)piperidine-4-carboxamide

N-[2-methyl-3-(2-methyl-1,3-dioxolan-2-yl)propyl]-1-(3-phenylprop-2-enoyl)piperidine-4-carboxamide (PubChem CID 76854172) has the molecular formula C23H32N2O4 and a molecular weight of 400.52 g/mol. Its IUPAC name is N-[2-methyl-3-(2-methyl-1,3-dioxolan-2-yl)propyl]-1-(3-phenylprop-2-enoyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-methyl-3-(2-methyl-1,3-dioxolan-2-yl)propyl]-1-(3-phenylprop-2-enoyl)piperidine-4-carboxamide
PubChem CID76854172
Molecular FormulaC23H32N2O4
Molecular Weight400.52 g/mol
Exact Mass400.24
IUPAC NameN-[2-methyl-3-(2-methyl-1,3-dioxolan-2-yl)propyl]-1-(3-phenylprop-2-enoyl)piperidine-4-carboxamide
SMILESCC(CNC(=O)C1CCN(C(=O)C=Cc2ccccc2)CC1)CC1(C)OCCO1
InChIInChI=1S/C23H32N2O4/c1-18(16-23(2)28-14-15-29-23)17-24-22(27)20-10-12-25(13-11-20)21(26)9-8-19-6-4-3-5-7-19/h3-9,18,20H,10-17H2,1-2H3,(H,24,27)
InChIKeyOZKCFBIOGGUJOU-UHFFFAOYSA-N
XLogP2.84
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.52
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-methylbutyl)-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
CID 26637084
N-(oxolan-2-ylmethyl)-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
CID 18168423
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-(3-phenylprop-2-enoyl)piperidine-4-carboxamide
CID 103598368
N-(3-morpholin-4-ylpropyl)-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
CID 51155935
N-[2-(2-methylpropylcarbamoyl)phenyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
CID 37003937
N-cyclopropyl-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
CID 26693864
N-[1-(5-chlorothiophen-2-yl)ethyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
CID 46575630
1-[(E)-3-phenylprop-2-enoyl]-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide
CID 46522990
N-[(1-ethylpyrrolidin-2-yl)methyl]-1-(3-phenylprop-2-enoyl)piperidine-4-carboxamide
CID 76859310
N-[[4-(difluoromethoxy)phenyl]methyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
CID 25482613
N-[1-(furan-2-yl)propan-2-yl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
CID 55614736
[1-oxo-1-(propylamino)propan-2-yl] 1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxylate
CID 55424115

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-3-(2-methyl-1,3-dioxolan-2-yl)propyl]-1-(3-phenylprop-2-enoyl)piperidine-4-carboxamide?
The IUPAC name of N-[2-methyl-3-(2-methyl-1,3-dioxolan-2-yl)propyl]-1-(3-phenylprop-2-enoyl)piperidine-4-carboxamide (CID 76854172) is N-[2-methyl-3-(2-methyl-1,3-dioxolan-2-yl)propyl]-1-(3-phenylprop-2-enoyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[2-methyl-3-(2-methyl-1,3-dioxolan-2-yl)propyl]-1-(3-phenylprop-2-enoyl)piperidine-4-carboxamide?
The canonical SMILES for N-[2-methyl-3-(2-methyl-1,3-dioxolan-2-yl)propyl]-1-(3-phenylprop-2-enoyl)piperidine-4-carboxamide is CC(CNC(=O)C1CCN(C(=O)C=Cc2ccccc2)CC1)CC1(C)OCCO1.
What is the InChIKey of N-[2-methyl-3-(2-methyl-1,3-dioxolan-2-yl)propyl]-1-(3-phenylprop-2-enoyl)piperidine-4-carboxamide?
The InChIKey is OZKCFBIOGGUJOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O4/c1-18(16-23(2)28-14-15-29-23)17-24-22(27)20-10-12-25(13-11-20)21(26)9-8-19-6-4-3-5-7-19/h3-9,18,20H,10-17H2,1-2H3,(H,24,27).
What are the key properties of N-[2-methyl-3-(2-methyl-1,3-dioxolan-2-yl)propyl]-1-(3-phenylprop-2-enoyl)piperidine-4-carboxamide?
N-[2-methyl-3-(2-methyl-1,3-dioxolan-2-yl)propyl]-1-(3-phenylprop-2-enoyl)piperidine-4-carboxamide has a molecular weight of 400.52 g/mol, XLogP of 2.84, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-3-(2-methyl-1,3-dioxolan-2-yl)propyl]-1-(3-phenylprop-2-enoyl)piperidine-4-carboxamide is sourced from PubChem (CID 76854172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).