N-(4,6-dimethyl-2-pyridinyl)-3-piperidin-3-ylpropanamide

C15H23N3O — CID 114932254

IUPACN-(4,6-dimethyl-2-pyridinyl)-3-piperidin-3-ylpropanamide
SMILESCc1cc(C)nc(NC(=O)CCC2CCCNC2)c1
InChIInChI=1S/C15H23N3O/c1-11-8-12(2)17-14(9-11)18-15(19)6-5-13-4-3-7-16-10-13/h8-9,13,16H,3-7,10H2,1-2H3,(H,17,18,19)
InChIKeyNJEFOBCDEGUFQG-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.42
Rot. Bonds4

About N-(4,6-dimethyl-2-pyridinyl)-3-piperidin-3-ylpropanamide

N-(4,6-dimethyl-2-pyridinyl)-3-piperidin-3-ylpropanamide (PubChem CID 114932254) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is N-(4,6-dimethyl-2-pyridinyl)-3-piperidin-3-ylpropanamide.

Molecular Properties

Compound NameN-(4,6-dimethyl-2-pyridinyl)-3-piperidin-3-ylpropanamide
PubChem CID114932254
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC NameN-(4,6-dimethyl-2-pyridinyl)-3-piperidin-3-ylpropanamide
SMILESCc1cc(C)nc(NC(=O)CCC2CCCNC2)c1
InChIInChI=1S/C15H23N3O/c1-11-8-12(2)17-14(9-11)18-15(19)6-5-13-4-3-7-16-10-13/h8-9,13,16H,3-7,10H2,1-2H3,(H,17,18,19)
InChIKeyNJEFOBCDEGUFQG-UHFFFAOYSA-N
XLogP2.42
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4,6-dimethyl-2-pyridinyl)-3-piperidin-3-ylpropanamide?
The IUPAC name of N-(4,6-dimethyl-2-pyridinyl)-3-piperidin-3-ylpropanamide (CID 114932254) is N-(4,6-dimethyl-2-pyridinyl)-3-piperidin-3-ylpropanamide.
What is the SMILES notation for N-(4,6-dimethyl-2-pyridinyl)-3-piperidin-3-ylpropanamide?
The canonical SMILES for N-(4,6-dimethyl-2-pyridinyl)-3-piperidin-3-ylpropanamide is Cc1cc(C)nc(NC(=O)CCC2CCCNC2)c1.
What is the InChIKey of N-(4,6-dimethyl-2-pyridinyl)-3-piperidin-3-ylpropanamide?
The InChIKey is NJEFOBCDEGUFQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-11-8-12(2)17-14(9-11)18-15(19)6-5-13-4-3-7-16-10-13/h8-9,13,16H,3-7,10H2,1-2H3,(H,17,18,19).
What are the key properties of N-(4,6-dimethyl-2-pyridinyl)-3-piperidin-3-ylpropanamide?
N-(4,6-dimethyl-2-pyridinyl)-3-piperidin-3-ylpropanamide has a molecular weight of 261.37 g/mol, XLogP of 2.42, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dimethyl-2-pyridinyl)-3-piperidin-3-ylpropanamide is sourced from PubChem (CID 114932254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).