1-(2,2-dimethylpropyl)-3-hydroxy-3-[[(6-methyl-2-pyridinyl)methylamino]methyl]piperidin-2-one

C18H29N3O2 — CID 45240042

IUPAC1-(2,2-dimethylpropyl)-3-hydroxy-3-[[(6-methyl-2-pyridinyl)methylamino]methyl]piperidin-2-one
SMILESCc1cccc(CNCC2(O)CCCN(CC(C)(C)C)C2=O)n1
InChIInChI=1S/C18H29N3O2/c1-14-7-5-8-15(20-14)11-19-12-18(23)9-6-10-21(16(18)22)13-17(2,3)4/h5,7-8,19,23H,6,9-13H2,1-4H3
InChIKeyCFZWNBTYJPSPIB-UHFFFAOYSA-N
MW319.45 g/mol
LogP1.88
Rot. Bonds5

About 1-(2,2-dimethylpropyl)-3-hydroxy-3-[[(6-methyl-2-pyridinyl)methylamino]methyl]piperidin-2-one

1-(2,2-dimethylpropyl)-3-hydroxy-3-[[(6-methyl-2-pyridinyl)methylamino]methyl]piperidin-2-one (PubChem CID 45240042) has the molecular formula C18H29N3O2 and a molecular weight of 319.45 g/mol. Its IUPAC name is 1-(2,2-dimethylpropyl)-3-hydroxy-3-[[(6-methyl-2-pyridinyl)methylamino]methyl]piperidin-2-one.

Molecular Properties

Compound Name1-(2,2-dimethylpropyl)-3-hydroxy-3-[[(6-methyl-2-pyridinyl)methylamino]methyl]piperidin-2-one
PubChem CID45240042
Molecular FormulaC18H29N3O2
Molecular Weight319.45 g/mol
Exact Mass319.23
IUPAC Name1-(2,2-dimethylpropyl)-3-hydroxy-3-[[(6-methyl-2-pyridinyl)methylamino]methyl]piperidin-2-one
SMILESCc1cccc(CNCC2(O)CCCN(CC(C)(C)C)C2=O)n1
InChIInChI=1S/C18H29N3O2/c1-14-7-5-8-15(20-14)11-19-12-18(23)9-6-10-21(16(18)22)13-17(2,3)4/h5,7-8,19,23H,6,9-13H2,1-4H3
InChIKeyCFZWNBTYJPSPIB-UHFFFAOYSA-N
XLogP1.88
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpropyl)-3-hydroxy-3-[[(6-methyl-2-pyridinyl)methylamino]methyl]piperidin-2-one?
The IUPAC name of 1-(2,2-dimethylpropyl)-3-hydroxy-3-[[(6-methyl-2-pyridinyl)methylamino]methyl]piperidin-2-one (CID 45240042) is 1-(2,2-dimethylpropyl)-3-hydroxy-3-[[(6-methyl-2-pyridinyl)methylamino]methyl]piperidin-2-one.
What is the SMILES notation for 1-(2,2-dimethylpropyl)-3-hydroxy-3-[[(6-methyl-2-pyridinyl)methylamino]methyl]piperidin-2-one?
The canonical SMILES for 1-(2,2-dimethylpropyl)-3-hydroxy-3-[[(6-methyl-2-pyridinyl)methylamino]methyl]piperidin-2-one is Cc1cccc(CNCC2(O)CCCN(CC(C)(C)C)C2=O)n1.
What is the InChIKey of 1-(2,2-dimethylpropyl)-3-hydroxy-3-[[(6-methyl-2-pyridinyl)methylamino]methyl]piperidin-2-one?
The InChIKey is CFZWNBTYJPSPIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2/c1-14-7-5-8-15(20-14)11-19-12-18(23)9-6-10-21(16(18)22)13-17(2,3)4/h5,7-8,19,23H,6,9-13H2,1-4H3.
What are the key properties of 1-(2,2-dimethylpropyl)-3-hydroxy-3-[[(6-methyl-2-pyridinyl)methylamino]methyl]piperidin-2-one?
1-(2,2-dimethylpropyl)-3-hydroxy-3-[[(6-methyl-2-pyridinyl)methylamino]methyl]piperidin-2-one has a molecular weight of 319.45 g/mol, XLogP of 1.88, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropyl)-3-hydroxy-3-[[(6-methyl-2-pyridinyl)methylamino]methyl]piperidin-2-one is sourced from PubChem (CID 45240042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).