N-[1-(2-methylpropyl)piperidin-4-yl]-2-pyridin-3-ylpropanamide

C17H27N3O — CID 136529734

IUPACN-[1-(2-methylpropyl)piperidin-4-yl]-2-pyridin-3-ylpropanamide
SMILESCC(C)CN1CCC(NC(=O)C(C)c2cccnc2)CC1
InChIInChI=1S/C17H27N3O/c1-13(2)12-20-9-6-16(7-10-20)19-17(21)14(3)15-5-4-8-18-11-15/h4-5,8,11,13-14,16H,6-7,9-10,12H2,1-3H3,(H,19,21)
InChIKeyKXOHCEBAJLZOSG-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.42
Rot. Bonds5

About N-[1-(2-methylpropyl)piperidin-4-yl]-2-pyridin-3-ylpropanamide

N-[1-(2-methylpropyl)piperidin-4-yl]-2-pyridin-3-ylpropanamide (PubChem CID 136529734) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is N-[1-(2-methylpropyl)piperidin-4-yl]-2-pyridin-3-ylpropanamide.

Molecular Properties

Compound NameN-[1-(2-methylpropyl)piperidin-4-yl]-2-pyridin-3-ylpropanamide
PubChem CID136529734
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC NameN-[1-(2-methylpropyl)piperidin-4-yl]-2-pyridin-3-ylpropanamide
SMILESCC(C)CN1CCC(NC(=O)C(C)c2cccnc2)CC1
InChIInChI=1S/C17H27N3O/c1-13(2)12-20-9-6-16(7-10-20)19-17(21)14(3)15-5-4-8-18-11-15/h4-5,8,11,13-14,16H,6-7,9-10,12H2,1-3H3,(H,19,21)
InChIKeyKXOHCEBAJLZOSG-UHFFFAOYSA-N
XLogP2.42
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methylpropyl)piperidin-4-yl]-2-pyridin-3-ylpropanamide?
The IUPAC name of N-[1-(2-methylpropyl)piperidin-4-yl]-2-pyridin-3-ylpropanamide (CID 136529734) is N-[1-(2-methylpropyl)piperidin-4-yl]-2-pyridin-3-ylpropanamide.
What is the SMILES notation for N-[1-(2-methylpropyl)piperidin-4-yl]-2-pyridin-3-ylpropanamide?
The canonical SMILES for N-[1-(2-methylpropyl)piperidin-4-yl]-2-pyridin-3-ylpropanamide is CC(C)CN1CCC(NC(=O)C(C)c2cccnc2)CC1.
What is the InChIKey of N-[1-(2-methylpropyl)piperidin-4-yl]-2-pyridin-3-ylpropanamide?
The InChIKey is KXOHCEBAJLZOSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-13(2)12-20-9-6-16(7-10-20)19-17(21)14(3)15-5-4-8-18-11-15/h4-5,8,11,13-14,16H,6-7,9-10,12H2,1-3H3,(H,19,21).
What are the key properties of N-[1-(2-methylpropyl)piperidin-4-yl]-2-pyridin-3-ylpropanamide?
N-[1-(2-methylpropyl)piperidin-4-yl]-2-pyridin-3-ylpropanamide has a molecular weight of 289.42 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methylpropyl)piperidin-4-yl]-2-pyridin-3-ylpropanamide is sourced from PubChem (CID 136529734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).