1-[4-methyl-2-oxo-6-(3-phenylpropyl)pyran-3-carbonyl]piperidine-4-carboxamide

C22H26N2O4 — CID 169415802

IUPAC1-[4-methyl-2-oxo-6-(3-phenylpropyl)pyran-3-carbonyl]piperidine-4-carboxamide
SMILESCc1cc(CCCc2ccccc2)oc(=O)c1C(=O)N1CCC(C(N)=O)CC1
InChIInChI=1S/C22H26N2O4/c1-15-14-18(9-5-8-16-6-3-2-4-7-16)28-22(27)19(15)21(26)24-12-10-17(11-13-24)20(23)25/h2-4,6-7,14,17H,5,8-13H2,1H3,(H2,23,25)
InChIKeyJQGNKYTVSCONRJ-UHFFFAOYSA-N
MW382.46 g/mol
LogP2.46
Rot. Bonds6

About 1-[4-methyl-2-oxo-6-(3-phenylpropyl)pyran-3-carbonyl]piperidine-4-carboxamide

1-[4-methyl-2-oxo-6-(3-phenylpropyl)pyran-3-carbonyl]piperidine-4-carboxamide (PubChem CID 169415802) has the molecular formula C22H26N2O4 and a molecular weight of 382.46 g/mol. Its IUPAC name is 1-[4-methyl-2-oxo-6-(3-phenylpropyl)pyran-3-carbonyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[4-methyl-2-oxo-6-(3-phenylpropyl)pyran-3-carbonyl]piperidine-4-carboxamide
PubChem CID169415802
Molecular FormulaC22H26N2O4
Molecular Weight382.46 g/mol
Exact Mass382.19
IUPAC Name1-[4-methyl-2-oxo-6-(3-phenylpropyl)pyran-3-carbonyl]piperidine-4-carboxamide
SMILESCc1cc(CCCc2ccccc2)oc(=O)c1C(=O)N1CCC(C(N)=O)CC1
InChIInChI=1S/C22H26N2O4/c1-15-14-18(9-5-8-16-6-3-2-4-7-16)28-22(27)19(15)21(26)24-12-10-17(11-13-24)20(23)25/h2-4,6-7,14,17H,5,8-13H2,1H3,(H2,23,25)
InChIKeyJQGNKYTVSCONRJ-UHFFFAOYSA-N
XLogP2.46
TPSA93.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-methyl-2-oxo-6-(3-phenylpropyl)pyran-3-carbonyl]azepane-3-carboxamide
CID 171387882
4-methyl-6-(3-phenylpropyl)-3-(pyrrolidine-1-carbonyl)pyran-2-one
CID 170512947
4-methyl-3-[4-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-6-(3-phenylpropyl)pyran-2-one
CID 170507265
methyl 4-[4-methyl-2-oxo-6-(3-phenylpropyl)pyran-3-carbonyl]piperazine-1-carboxylate
CID 170511945
3-[4-(4-hydroxybutyl)piperazine-1-carbonyl]-4-methyl-6-(3-phenylpropyl)pyran-2-one
CID 170502679
4-methyl-6-(3-phenylpropyl)-3-[(3S,5S)-3,4,5-trimethylpiperazine-1-carbonyl]pyran-2-one
CID 170508486
4-methyl-3-(3-morpholin-4-ylazetidine-1-carbonyl)-6-(3-phenylpropyl)pyran-2-one
CID 170502457
3-[(3aR,6aS)-3a-(hydroxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-5-carbonyl]-4-methyl-6-(3-phenylpropyl)pyran-2-one
CID 170503144
3-[(1S,2S,4R)-2-amino-7-azabicyclo[2.2.1]heptane-7-carbonyl]-4-methyl-6-(3-phenylpropyl)pyran-2-one;hydrochloride
CID 171713056
3-[3-(hydroxymethyl)piperidine-1-carbonyl]-4-methyl-6-(2-phenylethyl)pyran-2-one
CID 170513030
N-cyclopropyl-4-methyl-2-oxo-6-(3-phenylpropyl)pyran-3-carboxamide
CID 169412250
5-methyl-2-[4-methyl-2-oxo-6-(3-phenylpropyl)pyran-3-carbonyl]-2,5,7-triazaspiro[3.4]octan-6-one
CID 170512549

Frequently Asked Questions

What is the IUPAC name of 1-[4-methyl-2-oxo-6-(3-phenylpropyl)pyran-3-carbonyl]piperidine-4-carboxamide?
The IUPAC name of 1-[4-methyl-2-oxo-6-(3-phenylpropyl)pyran-3-carbonyl]piperidine-4-carboxamide (CID 169415802) is 1-[4-methyl-2-oxo-6-(3-phenylpropyl)pyran-3-carbonyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[4-methyl-2-oxo-6-(3-phenylpropyl)pyran-3-carbonyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[4-methyl-2-oxo-6-(3-phenylpropyl)pyran-3-carbonyl]piperidine-4-carboxamide is Cc1cc(CCCc2ccccc2)oc(=O)c1C(=O)N1CCC(C(N)=O)CC1.
What is the InChIKey of 1-[4-methyl-2-oxo-6-(3-phenylpropyl)pyran-3-carbonyl]piperidine-4-carboxamide?
The InChIKey is JQGNKYTVSCONRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O4/c1-15-14-18(9-5-8-16-6-3-2-4-7-16)28-22(27)19(15)21(26)24-12-10-17(11-13-24)20(23)25/h2-4,6-7,14,17H,5,8-13H2,1H3,(H2,23,25).
What are the key properties of 1-[4-methyl-2-oxo-6-(3-phenylpropyl)pyran-3-carbonyl]piperidine-4-carboxamide?
1-[4-methyl-2-oxo-6-(3-phenylpropyl)pyran-3-carbonyl]piperidine-4-carboxamide has a molecular weight of 382.46 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methyl-2-oxo-6-(3-phenylpropyl)pyran-3-carbonyl]piperidine-4-carboxamide is sourced from PubChem (CID 169415802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).