N-[1-(3-methylbutanoyl)piperidin-4-yl]pyridine-3-carboxamide

C16H23N3O2 — CID 47797205

IUPACN-[1-(3-methylbutanoyl)piperidin-4-yl]pyridine-3-carboxamide
SMILESCC(C)CC(=O)N1CCC(NC(=O)c2cccnc2)CC1
InChIInChI=1S/C16H23N3O2/c1-12(2)10-15(20)19-8-5-14(6-9-19)18-16(21)13-4-3-7-17-11-13/h3-4,7,11-12,14H,5-6,8-10H2,1-2H3,(H,18,21)
InChIKeyJEXVZIBUJKCQPU-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.85
Rot. Bonds4

About N-[1-(3-methylbutanoyl)piperidin-4-yl]pyridine-3-carboxamide

N-[1-(3-methylbutanoyl)piperidin-4-yl]pyridine-3-carboxamide (PubChem CID 47797205) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is N-[1-(3-methylbutanoyl)piperidin-4-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(3-methylbutanoyl)piperidin-4-yl]pyridine-3-carboxamide
PubChem CID47797205
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC NameN-[1-(3-methylbutanoyl)piperidin-4-yl]pyridine-3-carboxamide
SMILESCC(C)CC(=O)N1CCC(NC(=O)c2cccnc2)CC1
InChIInChI=1S/C16H23N3O2/c1-12(2)10-15(20)19-8-5-14(6-9-19)18-16(21)13-4-3-7-17-11-13/h3-4,7,11-12,14H,5-6,8-10H2,1-2H3,(H,18,21)
InChIKeyJEXVZIBUJKCQPU-UHFFFAOYSA-N
XLogP1.85
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-[1-(3-methylbutanoyl)piperidin-4-yl]benzamide
CID 110819611
N-[1-[2-[(4-ethoxybenzoyl)amino]acetyl]piperidin-4-yl]pyridine-3-carboxamide
CID 47836779
N-[1-(butylcarbamoyl)piperidin-4-yl]pyridine-3-carboxamide
CID 127165622
3-(dimethylamino)-N-[1-(3-methylbutanoyl)piperidin-4-yl]benzamide
CID 110819666
N-[1-(3-methylbutanoyl)piperidin-4-yl]furan-3-carboxamide
CID 47073768
N-[1-(4-cyclohexylbutanoyl)piperidin-4-yl]pyridine-3-carboxamide
CID 47076419
N-[1-[3-(4-methoxyphenyl)propanoyl]piperidin-4-yl]pyridine-3-carboxamide
CID 47836676
3,5-dimethyl-N-[1-(3-methylbutanoyl)piperidin-4-yl]benzamide
CID 51093731
N-[1-[2-(3-chlorophenyl)acetyl]piperidin-4-yl]pyridine-3-carboxamide
CID 108924893
N-[1-[2-(3-bromophenyl)acetyl]piperidin-4-yl]pyridine-3-carboxamide
CID 108924895
N-[1-(3-thiophen-2-ylpropanoyl)piperidin-4-yl]pyridine-3-carboxamide
CID 110822080
N-[1-[4-(2,6-dimethylphenoxy)butanoyl]piperidin-4-yl]pyridine-3-carboxamide
CID 108548470

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-methylbutanoyl)piperidin-4-yl]pyridine-3-carboxamide?
The IUPAC name of N-[1-(3-methylbutanoyl)piperidin-4-yl]pyridine-3-carboxamide (CID 47797205) is N-[1-(3-methylbutanoyl)piperidin-4-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[1-(3-methylbutanoyl)piperidin-4-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[1-(3-methylbutanoyl)piperidin-4-yl]pyridine-3-carboxamide is CC(C)CC(=O)N1CCC(NC(=O)c2cccnc2)CC1.
What is the InChIKey of N-[1-(3-methylbutanoyl)piperidin-4-yl]pyridine-3-carboxamide?
The InChIKey is JEXVZIBUJKCQPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-12(2)10-15(20)19-8-5-14(6-9-19)18-16(21)13-4-3-7-17-11-13/h3-4,7,11-12,14H,5-6,8-10H2,1-2H3,(H,18,21).
What are the key properties of N-[1-(3-methylbutanoyl)piperidin-4-yl]pyridine-3-carboxamide?
N-[1-(3-methylbutanoyl)piperidin-4-yl]pyridine-3-carboxamide has a molecular weight of 289.38 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-methylbutanoyl)piperidin-4-yl]pyridine-3-carboxamide is sourced from PubChem (CID 47797205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).