N-[(1-acetylpiperidin-4-yl)methyl]-6-methyl-4-oxopyran-2-carboxamide

C15H20N2O4 — CID 91788906

IUPACN-[(1-acetylpiperidin-4-yl)methyl]-6-methyl-4-oxopyran-2-carboxamide
SMILESCC(=O)N1CCC(CNC(=O)c2cc(=O)cc(C)o2)CC1
InChIInChI=1S/C15H20N2O4/c1-10-7-13(19)8-14(21-10)15(20)16-9-12-3-5-17(6-4-12)11(2)18/h7-8,12H,3-6,9H2,1-2H3,(H,16,20)
InChIKeyBTFJHDHFAMICHV-UHFFFAOYSA-N
MW292.33 g/mol
LogP0.94
Rot. Bonds3

About N-[(1-acetylpiperidin-4-yl)methyl]-6-methyl-4-oxopyran-2-carboxamide

N-[(1-acetylpiperidin-4-yl)methyl]-6-methyl-4-oxopyran-2-carboxamide (PubChem CID 91788906) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is N-[(1-acetylpiperidin-4-yl)methyl]-6-methyl-4-oxopyran-2-carboxamide.

Molecular Properties

Compound NameN-[(1-acetylpiperidin-4-yl)methyl]-6-methyl-4-oxopyran-2-carboxamide
PubChem CID91788906
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC NameN-[(1-acetylpiperidin-4-yl)methyl]-6-methyl-4-oxopyran-2-carboxamide
SMILESCC(=O)N1CCC(CNC(=O)c2cc(=O)cc(C)o2)CC1
InChIInChI=1S/C15H20N2O4/c1-10-7-13(19)8-14(21-10)15(20)16-9-12-3-5-17(6-4-12)11(2)18/h7-8,12H,3-6,9H2,1-2H3,(H,16,20)
InChIKeyBTFJHDHFAMICHV-UHFFFAOYSA-N
XLogP0.94
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,8-diazaspiro[4.5]dec-2-ylcarbonyl)-6-methyl-4H-pyran-4-one
CID 91788854
6-(aminomethyl)-3-methyl-4-methylidene-N-(3-methylpentyl)pyran-2-carboxamide
CID 143382826
3-Methoxy-1-methyl-1,8-diazaspiro[4.5]dec-3-en-2-one
CID 158349860
1-[(5-methoxy-4-oxo-4H-pyran-2-yl)carbonyl]piperidine-4-carboxamide
CID 49655992
5-hydroxy-N-[2-(1-isobutylpiperidin-3-yl)ethyl]-4-oxo-4H-pyran-2-carboxamide
CID 56706311
5-hydroxy-N-({1-[(2E)-2-methylpent-2-en-1-yl]piperidin-3-yl}methyl)-4-oxo-4H-pyran-2-carboxamide
CID 56711835
5-hydroxy-N-[[1-(2-methylpent-2-enyl)piperidin-3-yl]methyl]-4-oxopyran-2-carboxamide
CID 72075574
N,4-dimethyl-1-[(6-methyl-4-oxo-4H-pyran-2-yl)carbonyl]piperidine-4-carboxamide
CID 77090780
2-{[4-(isopropoxymethyl)piperidin-1-yl]carbonyl}-6-methyl-4H-pyran-4-one
CID 77096700
2-methyl-6-{[4-(piperidin-1-ylcarbonyl)piperidin-1-yl]carbonyl}-4H-pyran-4-one
CID 86286476
2-[(4-isopropylpiperidin-1-yl)carbonyl]-6-methyl-4H-pyran-4-one
CID 90647765
N-{[1-(2-hydroxyethyl)piperidin-3-yl]methyl}-6-methyl-4-oxo-4H-pyran-2-carboxamide
CID 91760543

Frequently Asked Questions

What is the IUPAC name of N-[(1-acetylpiperidin-4-yl)methyl]-6-methyl-4-oxopyran-2-carboxamide?
The IUPAC name of N-[(1-acetylpiperidin-4-yl)methyl]-6-methyl-4-oxopyran-2-carboxamide (CID 91788906) is N-[(1-acetylpiperidin-4-yl)methyl]-6-methyl-4-oxopyran-2-carboxamide.
What is the SMILES notation for N-[(1-acetylpiperidin-4-yl)methyl]-6-methyl-4-oxopyran-2-carboxamide?
The canonical SMILES for N-[(1-acetylpiperidin-4-yl)methyl]-6-methyl-4-oxopyran-2-carboxamide is CC(=O)N1CCC(CNC(=O)c2cc(=O)cc(C)o2)CC1.
What is the InChIKey of N-[(1-acetylpiperidin-4-yl)methyl]-6-methyl-4-oxopyran-2-carboxamide?
The InChIKey is BTFJHDHFAMICHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-10-7-13(19)8-14(21-10)15(20)16-9-12-3-5-17(6-4-12)11(2)18/h7-8,12H,3-6,9H2,1-2H3,(H,16,20).
What are the key properties of N-[(1-acetylpiperidin-4-yl)methyl]-6-methyl-4-oxopyran-2-carboxamide?
N-[(1-acetylpiperidin-4-yl)methyl]-6-methyl-4-oxopyran-2-carboxamide has a molecular weight of 292.33 g/mol, XLogP of 0.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-acetylpiperidin-4-yl)methyl]-6-methyl-4-oxopyran-2-carboxamide is sourced from PubChem (CID 91788906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).