2,2-dimethyl-N-[2-[4-(6-methyl-2-pyridinyl)piperidin-1-yl]ethyl]propanamide

C18H29N3O — CID 155922400

IUPAC2,2-dimethyl-N-[2-[4-(6-methyl-2-pyridinyl)piperidin-1-yl]ethyl]propanamide
SMILESCc1cccc(C2CCN(CCNC(=O)C(C)(C)C)CC2)n1
InChIInChI=1S/C18H29N3O/c1-14-6-5-7-16(20-14)15-8-11-21(12-9-15)13-10-19-17(22)18(2,3)4/h5-7,15H,8-13H2,1-4H3,(H,19,22)
InChIKeyUDFOPUAGEBDRJQ-UHFFFAOYSA-N
MW303.45 g/mol
LogP2.73
Rot. Bonds4

About 2,2-dimethyl-N-[2-[4-(6-methyl-2-pyridinyl)piperidin-1-yl]ethyl]propanamide

2,2-dimethyl-N-[2-[4-(6-methyl-2-pyridinyl)piperidin-1-yl]ethyl]propanamide (PubChem CID 155922400) has the molecular formula C18H29N3O and a molecular weight of 303.45 g/mol. Its IUPAC name is 2,2-dimethyl-N-[2-[4-(6-methyl-2-pyridinyl)piperidin-1-yl]ethyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[2-[4-(6-methyl-2-pyridinyl)piperidin-1-yl]ethyl]propanamide
PubChem CID155922400
Molecular FormulaC18H29N3O
Molecular Weight303.45 g/mol
Exact Mass303.23
IUPAC Name2,2-dimethyl-N-[2-[4-(6-methyl-2-pyridinyl)piperidin-1-yl]ethyl]propanamide
SMILESCc1cccc(C2CCN(CCNC(=O)C(C)(C)C)CC2)n1
InChIInChI=1S/C18H29N3O/c1-14-6-5-7-16(20-14)15-8-11-21(12-9-15)13-10-19-17(22)18(2,3)4/h5-7,15H,8-13H2,1-4H3,(H,19,22)
InChIKeyUDFOPUAGEBDRJQ-UHFFFAOYSA-N
XLogP2.73
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[2-[4-(6-methyl-2-pyridinyl)piperidin-1-yl]ethyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[2-[4-(6-methyl-2-pyridinyl)piperidin-1-yl]ethyl]propanamide (CID 155922400) is 2,2-dimethyl-N-[2-[4-(6-methyl-2-pyridinyl)piperidin-1-yl]ethyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[2-[4-(6-methyl-2-pyridinyl)piperidin-1-yl]ethyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[2-[4-(6-methyl-2-pyridinyl)piperidin-1-yl]ethyl]propanamide is Cc1cccc(C2CCN(CCNC(=O)C(C)(C)C)CC2)n1.
What is the InChIKey of 2,2-dimethyl-N-[2-[4-(6-methyl-2-pyridinyl)piperidin-1-yl]ethyl]propanamide?
The InChIKey is UDFOPUAGEBDRJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O/c1-14-6-5-7-16(20-14)15-8-11-21(12-9-15)13-10-19-17(22)18(2,3)4/h5-7,15H,8-13H2,1-4H3,(H,19,22).
What are the key properties of 2,2-dimethyl-N-[2-[4-(6-methyl-2-pyridinyl)piperidin-1-yl]ethyl]propanamide?
2,2-dimethyl-N-[2-[4-(6-methyl-2-pyridinyl)piperidin-1-yl]ethyl]propanamide has a molecular weight of 303.45 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[2-[4-(6-methyl-2-pyridinyl)piperidin-1-yl]ethyl]propanamide is sourced from PubChem (CID 155922400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).