1-(cyclopropanecarbonyl)-N-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]piperidine-2-carboxamide

C18H25N3O3 — CID 91831075

IUPAC1-(cyclopropanecarbonyl)-N-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]piperidine-2-carboxamide
SMILESCc1c[nH]c(CNC(=O)C2CCCCN2C(=O)C2CC2)c(C)c1=O
InChIInChI=1S/C18H25N3O3/c1-11-9-19-14(12(2)16(11)22)10-20-17(23)15-5-3-4-8-21(15)18(24)13-6-7-13/h9,13,15H,3-8,10H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyHERCICLCEBHWMZ-UHFFFAOYSA-N
MW331.42 g/mol
LogP1.40
Rot. Bonds4

About 1-(cyclopropanecarbonyl)-N-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]piperidine-2-carboxamide

1-(cyclopropanecarbonyl)-N-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]piperidine-2-carboxamide (PubChem CID 91831075) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is 1-(cyclopropanecarbonyl)-N-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name1-(cyclopropanecarbonyl)-N-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]piperidine-2-carboxamide
PubChem CID91831075
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC Name1-(cyclopropanecarbonyl)-N-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]piperidine-2-carboxamide
SMILESCc1c[nH]c(CNC(=O)C2CCCCN2C(=O)C2CC2)c(C)c1=O
InChIInChI=1S/C18H25N3O3/c1-11-9-19-14(12(2)16(11)22)10-20-17(23)15-5-3-4-8-21(15)18(24)13-6-7-13/h9,13,15H,3-8,10H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyHERCICLCEBHWMZ-UHFFFAOYSA-N
XLogP1.40
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropanecarbonyl)-N-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]piperidine-2-carboxamide?
The IUPAC name of 1-(cyclopropanecarbonyl)-N-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]piperidine-2-carboxamide (CID 91831075) is 1-(cyclopropanecarbonyl)-N-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]piperidine-2-carboxamide.
What is the SMILES notation for 1-(cyclopropanecarbonyl)-N-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]piperidine-2-carboxamide?
The canonical SMILES for 1-(cyclopropanecarbonyl)-N-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]piperidine-2-carboxamide is Cc1c[nH]c(CNC(=O)C2CCCCN2C(=O)C2CC2)c(C)c1=O.
What is the InChIKey of 1-(cyclopropanecarbonyl)-N-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]piperidine-2-carboxamide?
The InChIKey is HERCICLCEBHWMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3/c1-11-9-19-14(12(2)16(11)22)10-20-17(23)15-5-3-4-8-21(15)18(24)13-6-7-13/h9,13,15H,3-8,10H2,1-2H3,(H,19,22)(H,20,23).
What are the key properties of 1-(cyclopropanecarbonyl)-N-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]piperidine-2-carboxamide?
1-(cyclopropanecarbonyl)-N-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]piperidine-2-carboxamide has a molecular weight of 331.42 g/mol, XLogP of 1.40, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropanecarbonyl)-N-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]piperidine-2-carboxamide is sourced from PubChem (CID 91831075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).