N-[[1-(2-methylpropanoyl)piperidin-4-yl]methyl]-6-oxopyran-3-carboxamide

C16H22N2O4 — CID 164688722

IUPACN-[[1-(2-methylpropanoyl)piperidin-4-yl]methyl]-6-oxopyran-3-carboxamide
SMILESCC(C)C(=O)N1CCC(CNC(=O)c2ccc(=O)oc2)CC1
InChIInChI=1S/C16H22N2O4/c1-11(2)16(21)18-7-5-12(6-8-18)9-17-15(20)13-3-4-14(19)22-10-13/h3-4,10-12H,5-9H2,1-2H3,(H,17,20)
InChIKeySYWWRLUZXOYSIF-UHFFFAOYSA-N
MW306.36 g/mol
LogP1.26
Rot. Bonds4

About N-[[1-(2-methylpropanoyl)piperidin-4-yl]methyl]-6-oxopyran-3-carboxamide

N-[[1-(2-methylpropanoyl)piperidin-4-yl]methyl]-6-oxopyran-3-carboxamide (PubChem CID 164688722) has the molecular formula C16H22N2O4 and a molecular weight of 306.36 g/mol. Its IUPAC name is N-[[1-(2-methylpropanoyl)piperidin-4-yl]methyl]-6-oxopyran-3-carboxamide.

Molecular Properties

Compound NameN-[[1-(2-methylpropanoyl)piperidin-4-yl]methyl]-6-oxopyran-3-carboxamide
PubChem CID164688722
Molecular FormulaC16H22N2O4
Molecular Weight306.36 g/mol
Exact Mass306.16
IUPAC NameN-[[1-(2-methylpropanoyl)piperidin-4-yl]methyl]-6-oxopyran-3-carboxamide
SMILESCC(C)C(=O)N1CCC(CNC(=O)c2ccc(=O)oc2)CC1
InChIInChI=1S/C16H22N2O4/c1-11(2)16(21)18-7-5-12(6-8-18)9-17-15(20)13-3-4-14(19)22-10-13/h3-4,10-12H,5-9H2,1-2H3,(H,17,20)
InChIKeySYWWRLUZXOYSIF-UHFFFAOYSA-N
XLogP1.26
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(furan-3-carbonylamino)methyl]-N,N-dimethylpiperidine-1-carboxamide
CID 119103267
5-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]pyran-2-one
CID 115307125
4-[[[4-(1-nitrosoethyl)benzoyl]amino]methyl]piperidine-1-carboxylic acid
CID 91480032
N-[[4-[2-(2,3-dihydroindol-1-yl)ethylcarbamoyl]cyclohexyl]methyl]-6-oxopyran-3-carboxamide
CID 46966541
4-[[1-(2-methylpropanoyl)piperidin-4-yl]methoxy]-N-propan-2-ylbenzamide
CID 53150582
4-methoxy-N-[(1-methylpiperidin-4-yl)methyl]benzamide
CID 16895310
4-[[[4-(2-hydroxypropan-2-yl)benzoyl]amino]methyl]piperidine-1-carboxylic acid
CID 90981749
4-methoxy-N-[(1-propan-2-ylpiperidin-4-yl)methyl]benzamide
CID 16895405
N-(3-hydroxybutyl)-6-oxopyran-3-carboxamide
CID 64911371
4-[(1-methylpyrrolidin-3-yl)methylcarbamoyl]benzoic acid
CID 54926955
N-[(1-methylpiperidin-4-yl)methyl]-4-(trifluoromethyl)benzamide
CID 16895340
N-[(1-acetylpiperidin-4-yl)methyl]-4-[[ethyl(propan-2-yl)amino]methyl]benzamide
CID 167972606

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-methylpropanoyl)piperidin-4-yl]methyl]-6-oxopyran-3-carboxamide?
The IUPAC name of N-[[1-(2-methylpropanoyl)piperidin-4-yl]methyl]-6-oxopyran-3-carboxamide (CID 164688722) is N-[[1-(2-methylpropanoyl)piperidin-4-yl]methyl]-6-oxopyran-3-carboxamide.
What is the SMILES notation for N-[[1-(2-methylpropanoyl)piperidin-4-yl]methyl]-6-oxopyran-3-carboxamide?
The canonical SMILES for N-[[1-(2-methylpropanoyl)piperidin-4-yl]methyl]-6-oxopyran-3-carboxamide is CC(C)C(=O)N1CCC(CNC(=O)c2ccc(=O)oc2)CC1.
What is the InChIKey of N-[[1-(2-methylpropanoyl)piperidin-4-yl]methyl]-6-oxopyran-3-carboxamide?
The InChIKey is SYWWRLUZXOYSIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O4/c1-11(2)16(21)18-7-5-12(6-8-18)9-17-15(20)13-3-4-14(19)22-10-13/h3-4,10-12H,5-9H2,1-2H3,(H,17,20).
What are the key properties of N-[[1-(2-methylpropanoyl)piperidin-4-yl]methyl]-6-oxopyran-3-carboxamide?
N-[[1-(2-methylpropanoyl)piperidin-4-yl]methyl]-6-oxopyran-3-carboxamide has a molecular weight of 306.36 g/mol, XLogP of 1.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-methylpropanoyl)piperidin-4-yl]methyl]-6-oxopyran-3-carboxamide is sourced from PubChem (CID 164688722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).