3-[1-(6-methyl-4-oxopyran-2-carbonyl)piperidin-4-yl]-N-(oxolan-2-ylmethyl)propanamide

C20H28N2O5 — CID 72862698

IUPAC3-[1-(6-methyl-4-oxopyran-2-carbonyl)piperidin-4-yl]-N-(oxolan-2-ylmethyl)propanamide
SMILESCc1cc(=O)cc(C(=O)N2CCC(CCC(=O)NCC3CCCO3)CC2)o1
InChIInChI=1S/C20H28N2O5/c1-14-11-16(23)12-18(27-14)20(25)22-8-6-15(7-9-22)4-5-19(24)21-13-17-3-2-10-26-17/h11-12,15,17H,2-10,13H2,1H3,(H,21,24)
InChIKeyYAOLAQDRDWXGAG-UHFFFAOYSA-N
MW376.45 g/mol
LogP1.88
Rot. Bonds6

About 3-[1-(6-methyl-4-oxopyran-2-carbonyl)piperidin-4-yl]-N-(oxolan-2-ylmethyl)propanamide

3-[1-(6-methyl-4-oxopyran-2-carbonyl)piperidin-4-yl]-N-(oxolan-2-ylmethyl)propanamide (PubChem CID 72862698) has the molecular formula C20H28N2O5 and a molecular weight of 376.45 g/mol. Its IUPAC name is 3-[1-(6-methyl-4-oxopyran-2-carbonyl)piperidin-4-yl]-N-(oxolan-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-[1-(6-methyl-4-oxopyran-2-carbonyl)piperidin-4-yl]-N-(oxolan-2-ylmethyl)propanamide
PubChem CID72862698
Molecular FormulaC20H28N2O5
Molecular Weight376.45 g/mol
Exact Mass376.20
IUPAC Name3-[1-(6-methyl-4-oxopyran-2-carbonyl)piperidin-4-yl]-N-(oxolan-2-ylmethyl)propanamide
SMILESCc1cc(=O)cc(C(=O)N2CCC(CCC(=O)NCC3CCCO3)CC2)o1
InChIInChI=1S/C20H28N2O5/c1-14-11-16(23)12-18(27-14)20(25)22-8-6-15(7-9-22)4-5-19(24)21-13-17-3-2-10-26-17/h11-12,15,17H,2-10,13H2,1H3,(H,21,24)
InChIKeyYAOLAQDRDWXGAG-UHFFFAOYSA-N
XLogP1.88
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.45
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[1-(6-methyl-4-oxopyran-2-carbonyl)piperidin-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 97272642
3-[1-[5-(methylsulfanylmethyl)furan-2-carbonyl]piperidin-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 25282250
3-[1-(cyclopentene-1-carbonyl)piperidin-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 42214760
ethyl 4-[4-[3-oxo-3-(oxolan-2-ylmethylamino)propyl]piperidin-1-yl]piperidine-1-carboxylate
CID 45214419
3-[1-[(2,4-dioxo-1H-pyrimidin-6-yl)methyl]piperidin-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 97277962
3-[1-(furan-3-ylmethyl)piperidin-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 42381634
N-[(1-cyclopentylpiperidin-4-yl)methyl]-6-methyl-4-oxo-N-(oxolan-2-ylmethyl)pyran-2-carboxamide
CID 72889792
3-[1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidin-4-yl]-N-(oxolan-2-ylmethyl)propanamide
CID 45229016
2-methyl-6-[(3S)-3-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]piperidine-1-carbonyl]pyran-4-one
CID 97276911
3-[1-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]piperidin-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 26396266
N-[[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]methyl]-N'-[[(2S)-oxolan-2-yl]methyl]oxamide
CID 94221459
N-(3-methylphenyl)-3-[3-oxo-3-(oxolan-2-ylmethylamino)propyl]piperidine-1-carboxamide
CID 53138083

Frequently Asked Questions

What is the IUPAC name of 3-[1-(6-methyl-4-oxopyran-2-carbonyl)piperidin-4-yl]-N-(oxolan-2-ylmethyl)propanamide?
The IUPAC name of 3-[1-(6-methyl-4-oxopyran-2-carbonyl)piperidin-4-yl]-N-(oxolan-2-ylmethyl)propanamide (CID 72862698) is 3-[1-(6-methyl-4-oxopyran-2-carbonyl)piperidin-4-yl]-N-(oxolan-2-ylmethyl)propanamide.
What is the SMILES notation for 3-[1-(6-methyl-4-oxopyran-2-carbonyl)piperidin-4-yl]-N-(oxolan-2-ylmethyl)propanamide?
The canonical SMILES for 3-[1-(6-methyl-4-oxopyran-2-carbonyl)piperidin-4-yl]-N-(oxolan-2-ylmethyl)propanamide is Cc1cc(=O)cc(C(=O)N2CCC(CCC(=O)NCC3CCCO3)CC2)o1.
What is the InChIKey of 3-[1-(6-methyl-4-oxopyran-2-carbonyl)piperidin-4-yl]-N-(oxolan-2-ylmethyl)propanamide?
The InChIKey is YAOLAQDRDWXGAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O5/c1-14-11-16(23)12-18(27-14)20(25)22-8-6-15(7-9-22)4-5-19(24)21-13-17-3-2-10-26-17/h11-12,15,17H,2-10,13H2,1H3,(H,21,24).
What are the key properties of 3-[1-(6-methyl-4-oxopyran-2-carbonyl)piperidin-4-yl]-N-(oxolan-2-ylmethyl)propanamide?
3-[1-(6-methyl-4-oxopyran-2-carbonyl)piperidin-4-yl]-N-(oxolan-2-ylmethyl)propanamide has a molecular weight of 376.45 g/mol, XLogP of 1.88, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(6-methyl-4-oxopyran-2-carbonyl)piperidin-4-yl]-N-(oxolan-2-ylmethyl)propanamide is sourced from PubChem (CID 72862698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).