4-amino-N-(1,3-dimethylpiperidin-4-yl)-2,2,3-trimethylcyclohexane-1-carboxamide

C17H33N3O — CID 102629325

IUPAC4-amino-N-(1,3-dimethylpiperidin-4-yl)-2,2,3-trimethylcyclohexane-1-carboxamide
SMILESCC1CN(C)CCC1NC(=O)C1CCC(N)C(C)C1(C)C
InChIInChI=1S/C17H33N3O/c1-11-10-20(5)9-8-15(11)19-16(21)13-6-7-14(18)12(2)17(13,3)4/h11-15H,6-10,18H2,1-5H3,(H,19,21)
InChIKeyHLUZXQJDYWYUCB-UHFFFAOYSA-N
MW295.47 g/mol
LogP1.84
Rot. Bonds2

About 4-amino-N-(1,3-dimethylpiperidin-4-yl)-2,2,3-trimethylcyclohexane-1-carboxamide

4-amino-N-(1,3-dimethylpiperidin-4-yl)-2,2,3-trimethylcyclohexane-1-carboxamide (PubChem CID 102629325) has the molecular formula C17H33N3O and a molecular weight of 295.47 g/mol. Its IUPAC name is 4-amino-N-(1,3-dimethylpiperidin-4-yl)-2,2,3-trimethylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-(1,3-dimethylpiperidin-4-yl)-2,2,3-trimethylcyclohexane-1-carboxamide
PubChem CID102629325
Molecular FormulaC17H33N3O
Molecular Weight295.47 g/mol
Exact Mass295.26
IUPAC Name4-amino-N-(1,3-dimethylpiperidin-4-yl)-2,2,3-trimethylcyclohexane-1-carboxamide
SMILESCC1CN(C)CCC1NC(=O)C1CCC(N)C(C)C1(C)C
InChIInChI=1S/C17H33N3O/c1-11-10-20(5)9-8-15(11)19-16(21)13-6-7-14(18)12(2)17(13,3)4/h11-15H,6-10,18H2,1-5H3,(H,19,21)
InChIKeyHLUZXQJDYWYUCB-UHFFFAOYSA-N
XLogP1.84
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(1,3-dimethylpiperidin-4-yl)-2,2,3-trimethylcyclohexane-1-carboxamide?
The IUPAC name of 4-amino-N-(1,3-dimethylpiperidin-4-yl)-2,2,3-trimethylcyclohexane-1-carboxamide (CID 102629325) is 4-amino-N-(1,3-dimethylpiperidin-4-yl)-2,2,3-trimethylcyclohexane-1-carboxamide.
What is the SMILES notation for 4-amino-N-(1,3-dimethylpiperidin-4-yl)-2,2,3-trimethylcyclohexane-1-carboxamide?
The canonical SMILES for 4-amino-N-(1,3-dimethylpiperidin-4-yl)-2,2,3-trimethylcyclohexane-1-carboxamide is CC1CN(C)CCC1NC(=O)C1CCC(N)C(C)C1(C)C.
What is the InChIKey of 4-amino-N-(1,3-dimethylpiperidin-4-yl)-2,2,3-trimethylcyclohexane-1-carboxamide?
The InChIKey is HLUZXQJDYWYUCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O/c1-11-10-20(5)9-8-15(11)19-16(21)13-6-7-14(18)12(2)17(13,3)4/h11-15H,6-10,18H2,1-5H3,(H,19,21).
What are the key properties of 4-amino-N-(1,3-dimethylpiperidin-4-yl)-2,2,3-trimethylcyclohexane-1-carboxamide?
4-amino-N-(1,3-dimethylpiperidin-4-yl)-2,2,3-trimethylcyclohexane-1-carboxamide has a molecular weight of 295.47 g/mol, XLogP of 1.84, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(1,3-dimethylpiperidin-4-yl)-2,2,3-trimethylcyclohexane-1-carboxamide is sourced from PubChem (CID 102629325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).