N-methyl-2-[4-(6-methyl-4-oxopyran-2-carbonyl)piperazin-1-yl]acetamide

C14H19N3O4 — CID 118783714

IUPACN-methyl-2-[4-(6-methyl-4-oxopyran-2-carbonyl)piperazin-1-yl]acetamide
SMILESCNC(=O)CN1CCN(C(=O)c2cc(=O)cc(C)o2)CC1
InChIInChI=1S/C14H19N3O4/c1-10-7-11(18)8-12(21-10)14(20)17-5-3-16(4-6-17)9-13(19)15-2/h7-8H,3-6,9H2,1-2H3,(H,15,19)
InChIKeyPILFNLAWADLFEU-UHFFFAOYSA-N
MW293.32 g/mol
LogP-0.55
Rot. Bonds3

About N-methyl-2-[4-(6-methyl-4-oxopyran-2-carbonyl)piperazin-1-yl]acetamide

N-methyl-2-[4-(6-methyl-4-oxopyran-2-carbonyl)piperazin-1-yl]acetamide (PubChem CID 118783714) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is N-methyl-2-[4-(6-methyl-4-oxopyran-2-carbonyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-methyl-2-[4-(6-methyl-4-oxopyran-2-carbonyl)piperazin-1-yl]acetamide
PubChem CID118783714
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC NameN-methyl-2-[4-(6-methyl-4-oxopyran-2-carbonyl)piperazin-1-yl]acetamide
SMILESCNC(=O)CN1CCN(C(=O)c2cc(=O)cc(C)o2)CC1
InChIInChI=1S/C14H19N3O4/c1-10-7-11(18)8-12(21-10)14(20)17-5-3-16(4-6-17)9-13(19)15-2/h7-8H,3-6,9H2,1-2H3,(H,15,19)
InChIKeyPILFNLAWADLFEU-UHFFFAOYSA-N
XLogP-0.55
TPSA82.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 5-0.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3,4-dihydro-2H-pyran-6-carbonyl)-3,3-dimethylpiperazin-2-one
CID 71984349
N-[2-[3,4-dihydro-2H-pyran-6-carbonyl(2-morpholin-4-ylethyl)amino]ethyl]-3,4-dihydro-2H-pyran-6-carboxamide
CID 86796498
(3S)-4-(3,4-dihydro-2H-pyran-6-carbonyl)-3-methylpiperazin-2-one
CID 97090915
piperazin-1-yl(4H-pyran-2-yl)methanone
CID 70333816
ethane;(Z)-2-methoxy-1-piperazin-1-ylpent-2-en-1-one
CID 142145699
(Z)-2-methoxy-1-piperazin-1-ylpent-2-en-1-one
CID 142145700
2-{5-Methoxy-2-[(morpholin-4-YL)methyl]-4-oxo-1,4-dihydropyridin-1-YL}-N-propylacetamide
CID 27636527
2-{5-Methoxy-2-[(morpholin-4-YL)methyl]-4-oxo-1,4-dihydropyridin-1-YL}-N-(propan-2-YL)acetamide
CID 44826940
5-methoxy-2-[(piperazin-1-yl)methyl]-4H-pyran-4-one
CID 45496557
5-Hydroxy-2-[[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]methyl]pyran-4-one
CID 61017904
4-(3,4-dihydro-2H-pyran-6-carbonyl)-3-methylpiperazin-2-one
CID 71926656
5-Methoxy-2-(piperazine-1-carbonyl)pyran-4-one
CID 82511008

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[4-(6-methyl-4-oxopyran-2-carbonyl)piperazin-1-yl]acetamide?
The IUPAC name of N-methyl-2-[4-(6-methyl-4-oxopyran-2-carbonyl)piperazin-1-yl]acetamide (CID 118783714) is N-methyl-2-[4-(6-methyl-4-oxopyran-2-carbonyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-methyl-2-[4-(6-methyl-4-oxopyran-2-carbonyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-methyl-2-[4-(6-methyl-4-oxopyran-2-carbonyl)piperazin-1-yl]acetamide is CNC(=O)CN1CCN(C(=O)c2cc(=O)cc(C)o2)CC1.
What is the InChIKey of N-methyl-2-[4-(6-methyl-4-oxopyran-2-carbonyl)piperazin-1-yl]acetamide?
The InChIKey is PILFNLAWADLFEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4/c1-10-7-11(18)8-12(21-10)14(20)17-5-3-16(4-6-17)9-13(19)15-2/h7-8H,3-6,9H2,1-2H3,(H,15,19).
What are the key properties of N-methyl-2-[4-(6-methyl-4-oxopyran-2-carbonyl)piperazin-1-yl]acetamide?
N-methyl-2-[4-(6-methyl-4-oxopyran-2-carbonyl)piperazin-1-yl]acetamide has a molecular weight of 293.32 g/mol, XLogP of -0.55, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[4-(6-methyl-4-oxopyran-2-carbonyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 118783714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).