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

C17H24N2O4 — CID 91761669

IUPAC6-methyl-N-[1-(oxan-4-yl)piperidin-4-yl]-4-oxopyran-2-carboxamide
SMILESCc1cc(=O)cc(C(=O)NC2CCN(C3CCOCC3)CC2)o1
InChIInChI=1S/C17H24N2O4/c1-12-10-15(20)11-16(23-12)17(21)18-13-2-6-19(7-3-13)14-4-8-22-9-5-14/h10-11,13-14H,2-9H2,1H3,(H,18,21)
InChIKeyNVANNPWFVPEVNK-UHFFFAOYSA-N
MW320.39 g/mol
LogP1.32
Rot. Bonds3

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

6-methyl-N-[1-(oxan-4-yl)piperidin-4-yl]-4-oxopyran-2-carboxamide (PubChem CID 91761669) has the molecular formula C17H24N2O4 and a molecular weight of 320.39 g/mol. Its IUPAC name is 6-methyl-N-[1-(oxan-4-yl)piperidin-4-yl]-4-oxopyran-2-carboxamide.

Molecular Properties

Compound Name6-methyl-N-[1-(oxan-4-yl)piperidin-4-yl]-4-oxopyran-2-carboxamide
PubChem CID91761669
Molecular FormulaC17H24N2O4
Molecular Weight320.39 g/mol
Exact Mass320.17
IUPAC Name6-methyl-N-[1-(oxan-4-yl)piperidin-4-yl]-4-oxopyran-2-carboxamide
SMILESCc1cc(=O)cc(C(=O)NC2CCN(C3CCOCC3)CC2)o1
InChIInChI=1S/C17H24N2O4/c1-12-10-15(20)11-16(23-12)17(21)18-13-2-6-19(7-3-13)14-4-8-22-9-5-14/h10-11,13-14H,2-9H2,1H3,(H,18,21)
InChIKeyNVANNPWFVPEVNK-UHFFFAOYSA-N
XLogP1.32
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopentyl-2-{4-[(5-methoxy-4-oxo-4H-pyran-2-yl)carbonyl]-3-morpholinyl}acetamide
CID 56899187
Tert-butyl 4-[(5-methoxy-4-oxopyran-2-yl)methylamino]piperidine-1-carboxylate
CID 87437265
4-[(5-Methoxy-4-oxopyran-2-yl)methylamino]piperidine-1-carboxylic acid
CID 87452935
(5-Methoxy-4-oxopyran-2-yl)methyl-piperidin-4-ylcarbamic acid
CID 91557481
ethyl 4-(5-methoxy-4-oxo-4H-pyran-2-carboxamido)piperidine-1-carboxylate
CID 45537832
6-methyl-4-oxo-N-[1-(piperidin-1-ylcarbonyl)piperidin-4-yl]-4H-pyran-2-carboxamide
CID 77097679
N-(1-cyclopentylpiperidin-4-yl)-6-methyl-4-oxo-4H-pyran-2-carboxamide
CID 91769852
6-methyl-4-oxo-N-[1-(tetrahydrofuran-2-ylmethyl)piperidin-4-yl]-4H-pyran-2-carboxamide
CID 91792903
6-methyl-N-(1-methylpiperidin-3-yl)-4-oxo-4H-pyran-2-carboxamide
CID 91796718
N-cyclopentyl-2-[(3S)-4-(5-methoxy-4-oxopyran-2-carbonyl)morpholin-3-yl]acetamide
CID 95872917
N-cyclopentyl-2-[(3R)-4-(5-methoxy-4-oxopyran-2-carbonyl)morpholin-3-yl]acetamide
CID 95872918
6-methyl-4-oxo-N-[1-[[(2S)-oxolan-2-yl]methyl]piperidin-4-yl]pyran-2-carboxamide
CID 100247155

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[1-(oxan-4-yl)piperidin-4-yl]-4-oxopyran-2-carboxamide?
The IUPAC name of 6-methyl-N-[1-(oxan-4-yl)piperidin-4-yl]-4-oxopyran-2-carboxamide (CID 91761669) is 6-methyl-N-[1-(oxan-4-yl)piperidin-4-yl]-4-oxopyran-2-carboxamide.
What is the SMILES notation for 6-methyl-N-[1-(oxan-4-yl)piperidin-4-yl]-4-oxopyran-2-carboxamide?
The canonical SMILES for 6-methyl-N-[1-(oxan-4-yl)piperidin-4-yl]-4-oxopyran-2-carboxamide is Cc1cc(=O)cc(C(=O)NC2CCN(C3CCOCC3)CC2)o1.
What is the InChIKey of 6-methyl-N-[1-(oxan-4-yl)piperidin-4-yl]-4-oxopyran-2-carboxamide?
The InChIKey is NVANNPWFVPEVNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O4/c1-12-10-15(20)11-16(23-12)17(21)18-13-2-6-19(7-3-13)14-4-8-22-9-5-14/h10-11,13-14H,2-9H2,1H3,(H,18,21).
What are the key properties of 6-methyl-N-[1-(oxan-4-yl)piperidin-4-yl]-4-oxopyran-2-carboxamide?
6-methyl-N-[1-(oxan-4-yl)piperidin-4-yl]-4-oxopyran-2-carboxamide has a molecular weight of 320.39 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[1-(oxan-4-yl)piperidin-4-yl]-4-oxopyran-2-carboxamide is sourced from PubChem (CID 91761669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).