2-[[1-(5-chloro-2-pyridinyl)piperidin-4-yl]-methylamino]-N-propan-2-ylacetamide

C16H25ClN4O — CID 75439738

IUPAC2-[[1-(5-chloro-2-pyridinyl)piperidin-4-yl]-methylamino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN(C)C1CCN(c2ccc(Cl)cn2)CC1
InChIInChI=1S/C16H25ClN4O/c1-12(2)19-16(22)11-20(3)14-6-8-21(9-7-14)15-5-4-13(17)10-18-15/h4-5,10,12,14H,6-9,11H2,1-3H3,(H,19,22)
InChIKeyOGFONEVNEYMZDI-UHFFFAOYSA-N
MW324.86 g/mol
LogP2.16
Rot. Bonds5

About 2-[[1-(5-chloro-2-pyridinyl)piperidin-4-yl]-methylamino]-N-propan-2-ylacetamide

2-[[1-(5-chloro-2-pyridinyl)piperidin-4-yl]-methylamino]-N-propan-2-ylacetamide (PubChem CID 75439738) has the molecular formula C16H25ClN4O and a molecular weight of 324.86 g/mol. Its IUPAC name is 2-[[1-(5-chloro-2-pyridinyl)piperidin-4-yl]-methylamino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[[1-(5-chloro-2-pyridinyl)piperidin-4-yl]-methylamino]-N-propan-2-ylacetamide
PubChem CID75439738
Molecular FormulaC16H25ClN4O
Molecular Weight324.86 g/mol
Exact Mass324.17
IUPAC Name2-[[1-(5-chloro-2-pyridinyl)piperidin-4-yl]-methylamino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN(C)C1CCN(c2ccc(Cl)cn2)CC1
InChIInChI=1S/C16H25ClN4O/c1-12(2)19-16(22)11-20(3)14-6-8-21(9-7-14)15-5-4-13(17)10-18-15/h4-5,10,12,14H,6-9,11H2,1-3H3,(H,19,22)
InChIKeyOGFONEVNEYMZDI-UHFFFAOYSA-N
XLogP2.16
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.86
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-(5-chloro-2-pyridinyl)piperidin-4-yl]-methylamino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[[1-(5-chloro-2-pyridinyl)piperidin-4-yl]-methylamino]-N-propan-2-ylacetamide (CID 75439738) is 2-[[1-(5-chloro-2-pyridinyl)piperidin-4-yl]-methylamino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[[1-(5-chloro-2-pyridinyl)piperidin-4-yl]-methylamino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[[1-(5-chloro-2-pyridinyl)piperidin-4-yl]-methylamino]-N-propan-2-ylacetamide is CC(C)NC(=O)CN(C)C1CCN(c2ccc(Cl)cn2)CC1.
What is the InChIKey of 2-[[1-(5-chloro-2-pyridinyl)piperidin-4-yl]-methylamino]-N-propan-2-ylacetamide?
The InChIKey is OGFONEVNEYMZDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN4O/c1-12(2)19-16(22)11-20(3)14-6-8-21(9-7-14)15-5-4-13(17)10-18-15/h4-5,10,12,14H,6-9,11H2,1-3H3,(H,19,22).
What are the key properties of 2-[[1-(5-chloro-2-pyridinyl)piperidin-4-yl]-methylamino]-N-propan-2-ylacetamide?
2-[[1-(5-chloro-2-pyridinyl)piperidin-4-yl]-methylamino]-N-propan-2-ylacetamide has a molecular weight of 324.86 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(5-chloro-2-pyridinyl)piperidin-4-yl]-methylamino]-N-propan-2-ylacetamide is sourced from PubChem (CID 75439738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).