4-methyl-2-oxo-6-pentan-2-yl-N-(piperidin-4-ylmethyl)pyran-3-carboxamide;hydrochloride

C18H29ClN2O3 — CID 171713320

IUPAC4-methyl-2-oxo-6-pentan-2-yl-N-(piperidin-4-ylmethyl)pyran-3-carboxamide;hydrochloride
SMILESCCCC(C)c1cc(C)c(C(=O)NCC2CCNCC2)c(=O)o1.Cl
InChIInChI=1S/C18H28N2O3.ClH/c1-4-5-12(2)15-10-13(3)16(18(22)23-15)17(21)20-11-14-6-8-19-9-7-14;/h10,12,14,19H,4-9,11H2,1-3H3,(H,20,21);1H
InChIKeyFWQKOMAORFJMAF-UHFFFAOYSA-N
MW356.89 g/mol
LogP3.00
Rot. Bonds6

About 4-methyl-2-oxo-6-pentan-2-yl-N-(piperidin-4-ylmethyl)pyran-3-carboxamide;hydrochloride

4-methyl-2-oxo-6-pentan-2-yl-N-(piperidin-4-ylmethyl)pyran-3-carboxamide;hydrochloride (PubChem CID 171713320) has the molecular formula C18H29ClN2O3 and a molecular weight of 356.89 g/mol. Its IUPAC name is 4-methyl-2-oxo-6-pentan-2-yl-N-(piperidin-4-ylmethyl)pyran-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-methyl-2-oxo-6-pentan-2-yl-N-(piperidin-4-ylmethyl)pyran-3-carboxamide;hydrochloride
PubChem CID171713320
Molecular FormulaC18H29ClN2O3
Molecular Weight356.89 g/mol
Exact Mass356.19
IUPAC Name4-methyl-2-oxo-6-pentan-2-yl-N-(piperidin-4-ylmethyl)pyran-3-carboxamide;hydrochloride
SMILESCCCC(C)c1cc(C)c(C(=O)NCC2CCNCC2)c(=O)o1.Cl
InChIInChI=1S/C18H28N2O3.ClH/c1-4-5-12(2)15-10-13(3)16(18(22)23-15)17(21)20-11-14-6-8-19-9-7-14;/h10,12,14,19H,4-9,11H2,1-3H3,(H,20,21);1H
InChIKeyFWQKOMAORFJMAF-UHFFFAOYSA-N
XLogP3.00
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.89
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3-hydroxycyclobutyl)ethyl]-4-methyl-2-oxo-6-pentan-2-ylpyran-3-carboxamide
CID 170504979
4-methyl-2-oxo-6-pentan-2-yl-N-(4-piperazin-1-ylphenyl)pyran-3-carboxamide
CID 170513264
4-methyl-2-oxo-6-pentan-2-yl-N-(4-pyrrolidin-1-ylbutyl)pyran-3-carboxamide
CID 170512627
3-(3-fluoroazetidine-1-carbonyl)-4-methyl-6-pentan-2-ylpyran-2-one
CID 170503893
4-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-oxo-6-pentan-2-ylpyran-3-carboxamide
CID 170502855
N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-4-methyl-2-oxo-6-pentan-2-ylpyran-3-carboxamide
CID 170512984
4-methyl-6-pentan-2-yl-3-(piperidine-1-carbonyl)pyran-2-one
CID 169418871
N,4-dimethyl-N-[3-(methylamino)-3-oxopropyl]-2-oxo-6-pentan-2-ylpyran-3-carboxamide
CID 170503675
4-methyl-N-(4-methyl-2-pyridinyl)-2-oxo-6-pentan-2-ylpyran-3-carboxamide
CID 170505873
4-methyl-6-(3-methylbutyl)-2-oxo-N-[(5-oxopyrrolidin-2-yl)methyl]pyran-3-carboxamide
CID 170512843
N-(3,4-dihydro-2H-chromen-3-ylmethyl)-4-methyl-2-oxo-6-piperidin-4-ylpyran-3-carboxamide;hydrochloride
CID 171709461
2,5-dimethyl-N-(piperidin-4-ylmethyl)furan-3-carboxamide
CID 60725294

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-oxo-6-pentan-2-yl-N-(piperidin-4-ylmethyl)pyran-3-carboxamide;hydrochloride?
The IUPAC name of 4-methyl-2-oxo-6-pentan-2-yl-N-(piperidin-4-ylmethyl)pyran-3-carboxamide;hydrochloride (CID 171713320) is 4-methyl-2-oxo-6-pentan-2-yl-N-(piperidin-4-ylmethyl)pyran-3-carboxamide;hydrochloride.
What is the SMILES notation for 4-methyl-2-oxo-6-pentan-2-yl-N-(piperidin-4-ylmethyl)pyran-3-carboxamide;hydrochloride?
The canonical SMILES for 4-methyl-2-oxo-6-pentan-2-yl-N-(piperidin-4-ylmethyl)pyran-3-carboxamide;hydrochloride is CCCC(C)c1cc(C)c(C(=O)NCC2CCNCC2)c(=O)o1.Cl.
What is the InChIKey of 4-methyl-2-oxo-6-pentan-2-yl-N-(piperidin-4-ylmethyl)pyran-3-carboxamide;hydrochloride?
The InChIKey is FWQKOMAORFJMAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3.ClH/c1-4-5-12(2)15-10-13(3)16(18(22)23-15)17(21)20-11-14-6-8-19-9-7-14;/h10,12,14,19H,4-9,11H2,1-3H3,(H,20,21);1H.
What are the key properties of 4-methyl-2-oxo-6-pentan-2-yl-N-(piperidin-4-ylmethyl)pyran-3-carboxamide;hydrochloride?
4-methyl-2-oxo-6-pentan-2-yl-N-(piperidin-4-ylmethyl)pyran-3-carboxamide;hydrochloride has a molecular weight of 356.89 g/mol, XLogP of 3.00, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-oxo-6-pentan-2-yl-N-(piperidin-4-ylmethyl)pyran-3-carboxamide;hydrochloride is sourced from PubChem (CID 171713320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).