1-[4-[1-(dimethylamino)-2-methylpropan-2-yl]piperidin-1-yl]-11-(1H-imidazol-2-yl)undecan-1-one

C25H46N4O — CID 19965473

IUPAC1-[4-[1-(dimethylamino)-2-methylpropan-2-yl]piperidin-1-yl]-11-(1H-imidazol-2-yl)undecan-1-one
SMILESCN(C)CC(C)(C)C1CCN(C(=O)CCCCCCCCCCc2ncc[nH]2)CC1
InChIInChI=1S/C25H46N4O/c1-25(2,21-28(3)4)22-15-19-29(20-16-22)24(30)14-12-10-8-6-5-7-9-11-13-23-26-17-18-27-23/h17-18,22H,5-16,19-21H2,1-4H3,(H,26,27)
InChIKeyHCBVSGRJNUOYKW-UHFFFAOYSA-N
MW418.67 g/mol
LogP5.29
Rot. Bonds14

About 1-[4-[1-(dimethylamino)-2-methylpropan-2-yl]piperidin-1-yl]-11-(1H-imidazol-2-yl)undecan-1-one

1-[4-[1-(dimethylamino)-2-methylpropan-2-yl]piperidin-1-yl]-11-(1H-imidazol-2-yl)undecan-1-one (PubChem CID 19965473) has the molecular formula C25H46N4O and a molecular weight of 418.67 g/mol. Its IUPAC name is 1-[4-[1-(dimethylamino)-2-methylpropan-2-yl]piperidin-1-yl]-11-(1H-imidazol-2-yl)undecan-1-one.

Molecular Properties

Compound Name1-[4-[1-(dimethylamino)-2-methylpropan-2-yl]piperidin-1-yl]-11-(1H-imidazol-2-yl)undecan-1-one
PubChem CID19965473
Molecular FormulaC25H46N4O
Molecular Weight418.67 g/mol
Exact Mass418.37
IUPAC Name1-[4-[1-(dimethylamino)-2-methylpropan-2-yl]piperidin-1-yl]-11-(1H-imidazol-2-yl)undecan-1-one
SMILESCN(C)CC(C)(C)C1CCN(C(=O)CCCCCCCCCCc2ncc[nH]2)CC1
InChIInChI=1S/C25H46N4O/c1-25(2,21-28(3)4)22-15-19-29(20-16-22)24(30)14-12-10-8-6-5-7-9-11-13-23-26-17-18-27-23/h17-18,22H,5-16,19-21H2,1-4H3,(H,26,27)
InChIKeyHCBVSGRJNUOYKW-UHFFFAOYSA-N
XLogP5.29
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.67
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[1-(dimethylamino)-2-methylpropan-2-yl]piperidin-1-yl]-11-(1H-imidazol-2-yl)undecan-1-one?
The IUPAC name of 1-[4-[1-(dimethylamino)-2-methylpropan-2-yl]piperidin-1-yl]-11-(1H-imidazol-2-yl)undecan-1-one (CID 19965473) is 1-[4-[1-(dimethylamino)-2-methylpropan-2-yl]piperidin-1-yl]-11-(1H-imidazol-2-yl)undecan-1-one.
What is the SMILES notation for 1-[4-[1-(dimethylamino)-2-methylpropan-2-yl]piperidin-1-yl]-11-(1H-imidazol-2-yl)undecan-1-one?
The canonical SMILES for 1-[4-[1-(dimethylamino)-2-methylpropan-2-yl]piperidin-1-yl]-11-(1H-imidazol-2-yl)undecan-1-one is CN(C)CC(C)(C)C1CCN(C(=O)CCCCCCCCCCc2ncc[nH]2)CC1.
What is the InChIKey of 1-[4-[1-(dimethylamino)-2-methylpropan-2-yl]piperidin-1-yl]-11-(1H-imidazol-2-yl)undecan-1-one?
The InChIKey is HCBVSGRJNUOYKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H46N4O/c1-25(2,21-28(3)4)22-15-19-29(20-16-22)24(30)14-12-10-8-6-5-7-9-11-13-23-26-17-18-27-23/h17-18,22H,5-16,19-21H2,1-4H3,(H,26,27).
What are the key properties of 1-[4-[1-(dimethylamino)-2-methylpropan-2-yl]piperidin-1-yl]-11-(1H-imidazol-2-yl)undecan-1-one?
1-[4-[1-(dimethylamino)-2-methylpropan-2-yl]piperidin-1-yl]-11-(1H-imidazol-2-yl)undecan-1-one has a molecular weight of 418.67 g/mol, XLogP of 5.29, 14 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[1-(dimethylamino)-2-methylpropan-2-yl]piperidin-1-yl]-11-(1H-imidazol-2-yl)undecan-1-one is sourced from PubChem (CID 19965473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).