(2R,3S)-1-methyl-2-(4-methylphenyl)-6-oxo-N,N-bis(prop-2-enyl)piperidine-3-carboxamide

C20H26N2O2 — CID 95738404

IUPAC(2R,3S)-1-methyl-2-(4-methylphenyl)-6-oxo-N,N-bis(prop-2-enyl)piperidine-3-carboxamide
SMILESC=CCN(CC=C)C(=O)[C@H]1CCC(=O)N(C)[C@H]1c1ccc(C)cc1
InChIInChI=1S/C20H26N2O2/c1-5-13-22(14-6-2)20(24)17-11-12-18(23)21(4)19(17)16-9-7-15(3)8-10-16/h5-10,17,19H,1-2,11-14H2,3-4H3/t17-,19-/m0/s1
InChIKeyJANLWFQDFHRCTP-HKUYNNGSSA-N
MW326.44 g/mol
LogP3.11
Rot. Bonds6

About (2R,3S)-1-methyl-2-(4-methylphenyl)-6-oxo-N,N-bis(prop-2-enyl)piperidine-3-carboxamide

(2R,3S)-1-methyl-2-(4-methylphenyl)-6-oxo-N,N-bis(prop-2-enyl)piperidine-3-carboxamide (PubChem CID 95738404) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is (2R,3S)-1-methyl-2-(4-methylphenyl)-6-oxo-N,N-bis(prop-2-enyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(2R,3S)-1-methyl-2-(4-methylphenyl)-6-oxo-N,N-bis(prop-2-enyl)piperidine-3-carboxamide
PubChem CID95738404
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC Name(2R,3S)-1-methyl-2-(4-methylphenyl)-6-oxo-N,N-bis(prop-2-enyl)piperidine-3-carboxamide
SMILESC=CCN(CC=C)C(=O)[C@H]1CCC(=O)N(C)[C@H]1c1ccc(C)cc1
InChIInChI=1S/C20H26N2O2/c1-5-13-22(14-6-2)20(24)17-11-12-18(23)21(4)19(17)16-9-7-15(3)8-10-16/h5-10,17,19H,1-2,11-14H2,3-4H3/t17-,19-/m0/s1
InChIKeyJANLWFQDFHRCTP-HKUYNNGSSA-N
XLogP3.11
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-1-methyl-2-(4-methylphenyl)-6-oxo-N,N-bis(prop-2-enyl)piperidine-3-carboxamide?
The IUPAC name of (2R,3S)-1-methyl-2-(4-methylphenyl)-6-oxo-N,N-bis(prop-2-enyl)piperidine-3-carboxamide (CID 95738404) is (2R,3S)-1-methyl-2-(4-methylphenyl)-6-oxo-N,N-bis(prop-2-enyl)piperidine-3-carboxamide.
What is the SMILES notation for (2R,3S)-1-methyl-2-(4-methylphenyl)-6-oxo-N,N-bis(prop-2-enyl)piperidine-3-carboxamide?
The canonical SMILES for (2R,3S)-1-methyl-2-(4-methylphenyl)-6-oxo-N,N-bis(prop-2-enyl)piperidine-3-carboxamide is C=CCN(CC=C)C(=O)[C@H]1CCC(=O)N(C)[C@H]1c1ccc(C)cc1.
What is the InChIKey of (2R,3S)-1-methyl-2-(4-methylphenyl)-6-oxo-N,N-bis(prop-2-enyl)piperidine-3-carboxamide?
The InChIKey is JANLWFQDFHRCTP-HKUYNNGSSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-5-13-22(14-6-2)20(24)17-11-12-18(23)21(4)19(17)16-9-7-15(3)8-10-16/h5-10,17,19H,1-2,11-14H2,3-4H3/t17-,19-/m0/s1.
What are the key properties of (2R,3S)-1-methyl-2-(4-methylphenyl)-6-oxo-N,N-bis(prop-2-enyl)piperidine-3-carboxamide?
(2R,3S)-1-methyl-2-(4-methylphenyl)-6-oxo-N,N-bis(prop-2-enyl)piperidine-3-carboxamide has a molecular weight of 326.44 g/mol, XLogP of 3.11, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-1-methyl-2-(4-methylphenyl)-6-oxo-N,N-bis(prop-2-enyl)piperidine-3-carboxamide is sourced from PubChem (CID 95738404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).