1-(2,2-dimethylpropyl)-3-hydroxy-3-[[methyl-[(5-methyl-1H-imidazol-2-yl)methyl]amino]methyl]piperidin-2-one

C17H30N4O2 — CID 45243707

IUPAC1-(2,2-dimethylpropyl)-3-hydroxy-3-[[methyl-[(5-methyl-1H-imidazol-2-yl)methyl]amino]methyl]piperidin-2-one
SMILESCc1cnc(CN(C)CC2(O)CCCN(CC(C)(C)C)C2=O)[nH]1
InChIInChI=1S/C17H30N4O2/c1-13-9-18-14(19-13)10-20(5)12-17(23)7-6-8-21(15(17)22)11-16(2,3)4/h9,23H,6-8,10-12H2,1-5H3,(H,18,19)
InChIKeyRPOJZXXBXSADCH-UHFFFAOYSA-N
MW322.45 g/mol
LogP1.55
Rot. Bonds5

About 1-(2,2-dimethylpropyl)-3-hydroxy-3-[[methyl-[(5-methyl-1H-imidazol-2-yl)methyl]amino]methyl]piperidin-2-one

1-(2,2-dimethylpropyl)-3-hydroxy-3-[[methyl-[(5-methyl-1H-imidazol-2-yl)methyl]amino]methyl]piperidin-2-one (PubChem CID 45243707) has the molecular formula C17H30N4O2 and a molecular weight of 322.45 g/mol. Its IUPAC name is 1-(2,2-dimethylpropyl)-3-hydroxy-3-[[methyl-[(5-methyl-1H-imidazol-2-yl)methyl]amino]methyl]piperidin-2-one.

Molecular Properties

Compound Name1-(2,2-dimethylpropyl)-3-hydroxy-3-[[methyl-[(5-methyl-1H-imidazol-2-yl)methyl]amino]methyl]piperidin-2-one
PubChem CID45243707
Molecular FormulaC17H30N4O2
Molecular Weight322.45 g/mol
Exact Mass322.24
IUPAC Name1-(2,2-dimethylpropyl)-3-hydroxy-3-[[methyl-[(5-methyl-1H-imidazol-2-yl)methyl]amino]methyl]piperidin-2-one
SMILESCc1cnc(CN(C)CC2(O)CCCN(CC(C)(C)C)C2=O)[nH]1
InChIInChI=1S/C17H30N4O2/c1-13-9-18-14(19-13)10-20(5)12-17(23)7-6-8-21(15(17)22)11-16(2,3)4/h9,23H,6-8,10-12H2,1-5H3,(H,18,19)
InChIKeyRPOJZXXBXSADCH-UHFFFAOYSA-N
XLogP1.55
TPSA72.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 51.55
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-[[methyl-[(5-methyl-1H-imidazol-2-yl)methyl]amino]methyl]piperidin-2-one?
The IUPAC name of 1-(2,2-dimethylpropyl)-3-hydroxy-3-[[methyl-[(5-methyl-1H-imidazol-2-yl)methyl]amino]methyl]piperidin-2-one (CID 45243707) is 1-(2,2-dimethylpropyl)-3-hydroxy-3-[[methyl-[(5-methyl-1H-imidazol-2-yl)methyl]amino]methyl]piperidin-2-one.
What is the SMILES notation for 1-(2,2-dimethylpropyl)-3-hydroxy-3-[[methyl-[(5-methyl-1H-imidazol-2-yl)methyl]amino]methyl]piperidin-2-one?
The canonical SMILES for 1-(2,2-dimethylpropyl)-3-hydroxy-3-[[methyl-[(5-methyl-1H-imidazol-2-yl)methyl]amino]methyl]piperidin-2-one is Cc1cnc(CN(C)CC2(O)CCCN(CC(C)(C)C)C2=O)[nH]1.
What is the InChIKey of 1-(2,2-dimethylpropyl)-3-hydroxy-3-[[methyl-[(5-methyl-1H-imidazol-2-yl)methyl]amino]methyl]piperidin-2-one?
The InChIKey is RPOJZXXBXSADCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4O2/c1-13-9-18-14(19-13)10-20(5)12-17(23)7-6-8-21(15(17)22)11-16(2,3)4/h9,23H,6-8,10-12H2,1-5H3,(H,18,19).
What are the key properties of 1-(2,2-dimethylpropyl)-3-hydroxy-3-[[methyl-[(5-methyl-1H-imidazol-2-yl)methyl]amino]methyl]piperidin-2-one?
1-(2,2-dimethylpropyl)-3-hydroxy-3-[[methyl-[(5-methyl-1H-imidazol-2-yl)methyl]amino]methyl]piperidin-2-one has a molecular weight of 322.45 g/mol, XLogP of 1.55, 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-[[methyl-[(5-methyl-1H-imidazol-2-yl)methyl]amino]methyl]piperidin-2-one is sourced from PubChem (CID 45243707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).