1-methyl-4-[(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)methyl]-N-(2-methylpropyl)piperidine-4-carboxamide

C18H34N4O — CID 142326925

IUPAC1-methyl-4-[(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)methyl]-N-(2-methylpropyl)piperidine-4-carboxamide
SMILESCC(C)CNC(=O)C1(CN2CC3(CN(C)C3)C2)CCN(C)CC1
InChIInChI=1S/C18H34N4O/c1-15(2)9-19-16(23)18(5-7-20(3)8-6-18)14-22-12-17(13-22)10-21(4)11-17/h15H,5-14H2,1-4H3,(H,19,23)
InChIKeyPOTLEYQTWWVBLW-UHFFFAOYSA-N
MW322.50 g/mol
LogP0.72
Rot. Bonds5

About 1-methyl-4-[(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)methyl]-N-(2-methylpropyl)piperidine-4-carboxamide

1-methyl-4-[(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)methyl]-N-(2-methylpropyl)piperidine-4-carboxamide (PubChem CID 142326925) has the molecular formula C18H34N4O and a molecular weight of 322.50 g/mol. Its IUPAC name is 1-methyl-4-[(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)methyl]-N-(2-methylpropyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-methyl-4-[(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)methyl]-N-(2-methylpropyl)piperidine-4-carboxamide
PubChem CID142326925
Molecular FormulaC18H34N4O
Molecular Weight322.50 g/mol
Exact Mass322.27
IUPAC Name1-methyl-4-[(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)methyl]-N-(2-methylpropyl)piperidine-4-carboxamide
SMILESCC(C)CNC(=O)C1(CN2CC3(CN(C)C3)C2)CCN(C)CC1
InChIInChI=1S/C18H34N4O/c1-15(2)9-19-16(23)18(5-7-20(3)8-6-18)14-22-12-17(13-22)10-21(4)11-17/h15H,5-14H2,1-4H3,(H,19,23)
InChIKeyPOTLEYQTWWVBLW-UHFFFAOYSA-N
XLogP0.72
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.50
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)methyl]-N-(2-methylpropyl)piperidine-4-carboxamide?
The IUPAC name of 1-methyl-4-[(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)methyl]-N-(2-methylpropyl)piperidine-4-carboxamide (CID 142326925) is 1-methyl-4-[(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)methyl]-N-(2-methylpropyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-methyl-4-[(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)methyl]-N-(2-methylpropyl)piperidine-4-carboxamide?
The canonical SMILES for 1-methyl-4-[(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)methyl]-N-(2-methylpropyl)piperidine-4-carboxamide is CC(C)CNC(=O)C1(CN2CC3(CN(C)C3)C2)CCN(C)CC1.
What is the InChIKey of 1-methyl-4-[(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)methyl]-N-(2-methylpropyl)piperidine-4-carboxamide?
The InChIKey is POTLEYQTWWVBLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N4O/c1-15(2)9-19-16(23)18(5-7-20(3)8-6-18)14-22-12-17(13-22)10-21(4)11-17/h15H,5-14H2,1-4H3,(H,19,23).
What are the key properties of 1-methyl-4-[(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)methyl]-N-(2-methylpropyl)piperidine-4-carboxamide?
1-methyl-4-[(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)methyl]-N-(2-methylpropyl)piperidine-4-carboxamide has a molecular weight of 322.50 g/mol, XLogP of 0.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)methyl]-N-(2-methylpropyl)piperidine-4-carboxamide is sourced from PubChem (CID 142326925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).