6-methyl-4-oxo-N-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]pyran-2-carboxamide

C17H26N2O3 — CID 91778812

IUPAC6-methyl-4-oxo-N-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]pyran-2-carboxamide
SMILESCc1cc(=O)cc(C(=O)NCCC2CCN(C(C)C)CC2)o1
InChIInChI=1S/C17H26N2O3/c1-12(2)19-8-5-14(6-9-19)4-7-18-17(21)16-11-15(20)10-13(3)22-16/h10-12,14H,4-9H2,1-3H3,(H,18,21)
InChIKeyVFKLCMKDHKMCMC-UHFFFAOYSA-N
MW306.41 g/mol
LogP2.19
Rot. Bonds5

About 6-methyl-4-oxo-N-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]pyran-2-carboxamide

6-methyl-4-oxo-N-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]pyran-2-carboxamide (PubChem CID 91778812) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is 6-methyl-4-oxo-N-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]pyran-2-carboxamide.

Molecular Properties

Compound Name6-methyl-4-oxo-N-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]pyran-2-carboxamide
PubChem CID91778812
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Name6-methyl-4-oxo-N-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]pyran-2-carboxamide
SMILESCc1cc(=O)cc(C(=O)NCCC2CCN(C(C)C)CC2)o1
InChIInChI=1S/C17H26N2O3/c1-12(2)19-8-5-14(6-9-19)4-7-18-17(21)16-11-15(20)10-13(3)22-16/h10-12,14H,4-9H2,1-3H3,(H,18,21)
InChIKeyVFKLCMKDHKMCMC-UHFFFAOYSA-N
XLogP2.19
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.19
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
(E)-4-methyl-N-[1-(2-propan-2-yloxyacetyl)piperidin-4-yl]pent-2-enamide
CID 156518094
(E)-4-methyl-N-[1-(2-propan-2-yloxyacetyl)piperidin-4-yl]pent-2-enamide;molecular hydrogen
CID 156798942
3-Methoxy-1-methyl-1,8-diazaspiro[4.5]dec-3-en-2-one
CID 158349860
Tert-butyl 4-[[6-(1-aminoethyl)-4-oxopyran-3-yl]oxymethyl]piperidine-1-carboxylate
CID 169916871
N,4-dimethyl-1-[(6-methyl-4-oxo-4H-pyran-2-yl)carbonyl]piperidine-4-carboxamide
CID 77090780
N-{[1-(dimethylamino)cyclohexyl]methyl}-6-methyl-4-oxo-4H-pyran-2-carboxamide
CID 77097509
2-({4-[[2-(dimethylamino)ethyl](methyl)amino]piperidin-1-yl}carbonyl)-6-methyl-4H-pyran-4-one
CID 86286386
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
N-(1-cyclopentylpiperidin-4-yl)-6-methyl-4-oxo-4H-pyran-2-carboxamide
CID 91769852
6-methyl-N-[1-(1-methylpiperidin-4-yl)ethyl]-4-oxo-4H-pyran-2-carboxamide
CID 91774922

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-oxo-N-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]pyran-2-carboxamide?
The IUPAC name of 6-methyl-4-oxo-N-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]pyran-2-carboxamide (CID 91778812) is 6-methyl-4-oxo-N-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]pyran-2-carboxamide.
What is the SMILES notation for 6-methyl-4-oxo-N-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]pyran-2-carboxamide?
The canonical SMILES for 6-methyl-4-oxo-N-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]pyran-2-carboxamide is Cc1cc(=O)cc(C(=O)NCCC2CCN(C(C)C)CC2)o1.
What is the InChIKey of 6-methyl-4-oxo-N-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]pyran-2-carboxamide?
The InChIKey is VFKLCMKDHKMCMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-12(2)19-8-5-14(6-9-19)4-7-18-17(21)16-11-15(20)10-13(3)22-16/h10-12,14H,4-9H2,1-3H3,(H,18,21).
What are the key properties of 6-methyl-4-oxo-N-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]pyran-2-carboxamide?
6-methyl-4-oxo-N-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]pyran-2-carboxamide has a molecular weight of 306.41 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-oxo-N-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]pyran-2-carboxamide is sourced from PubChem (CID 91778812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).