6-amino-1-[3-(2,6-dimethylpiperidin-1-yl)propyl]cyclohexa-2,4-diene-1-carboxamide

C17H29N3O — CID 23324053

IUPAC6-amino-1-[3-(2,6-dimethylpiperidin-1-yl)propyl]cyclohexa-2,4-diene-1-carboxamide
SMILESCC1CCCC(C)N1CCCC1(C(N)=O)C=CC=CC1N
InChIInChI=1S/C17H29N3O/c1-13-7-5-8-14(2)20(13)12-6-11-17(16(19)21)10-4-3-9-15(17)18/h3-4,9-10,13-15H,5-8,11-12,18H2,1-2H3,(H2,19,21)
InChIKeyPCVJNKJJCROWJS-UHFFFAOYSA-N
MW291.44 g/mol
LogP1.95
Rot. Bonds5

About 6-amino-1-[3-(2,6-dimethylpiperidin-1-yl)propyl]cyclohexa-2,4-diene-1-carboxamide

6-amino-1-[3-(2,6-dimethylpiperidin-1-yl)propyl]cyclohexa-2,4-diene-1-carboxamide (PubChem CID 23324053) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is 6-amino-1-[3-(2,6-dimethylpiperidin-1-yl)propyl]cyclohexa-2,4-diene-1-carboxamide.

Molecular Properties

Compound Name6-amino-1-[3-(2,6-dimethylpiperidin-1-yl)propyl]cyclohexa-2,4-diene-1-carboxamide
PubChem CID23324053
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC Name6-amino-1-[3-(2,6-dimethylpiperidin-1-yl)propyl]cyclohexa-2,4-diene-1-carboxamide
SMILESCC1CCCC(C)N1CCCC1(C(N)=O)C=CC=CC1N
InChIInChI=1S/C17H29N3O/c1-13-7-5-8-14(2)20(13)12-6-11-17(16(19)21)10-4-3-9-15(17)18/h3-4,9-10,13-15H,5-8,11-12,18H2,1-2H3,(H2,19,21)
InChIKeyPCVJNKJJCROWJS-UHFFFAOYSA-N
XLogP1.95
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-amino-1-[3-(2,6-dimethylpiperidin-1-yl)propyl]cyclohexa-2,4-diene-1-carboxamide?
The IUPAC name of 6-amino-1-[3-(2,6-dimethylpiperidin-1-yl)propyl]cyclohexa-2,4-diene-1-carboxamide (CID 23324053) is 6-amino-1-[3-(2,6-dimethylpiperidin-1-yl)propyl]cyclohexa-2,4-diene-1-carboxamide.
What is the SMILES notation for 6-amino-1-[3-(2,6-dimethylpiperidin-1-yl)propyl]cyclohexa-2,4-diene-1-carboxamide?
The canonical SMILES for 6-amino-1-[3-(2,6-dimethylpiperidin-1-yl)propyl]cyclohexa-2,4-diene-1-carboxamide is CC1CCCC(C)N1CCCC1(C(N)=O)C=CC=CC1N.
What is the InChIKey of 6-amino-1-[3-(2,6-dimethylpiperidin-1-yl)propyl]cyclohexa-2,4-diene-1-carboxamide?
The InChIKey is PCVJNKJJCROWJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-13-7-5-8-14(2)20(13)12-6-11-17(16(19)21)10-4-3-9-15(17)18/h3-4,9-10,13-15H,5-8,11-12,18H2,1-2H3,(H2,19,21).
What are the key properties of 6-amino-1-[3-(2,6-dimethylpiperidin-1-yl)propyl]cyclohexa-2,4-diene-1-carboxamide?
6-amino-1-[3-(2,6-dimethylpiperidin-1-yl)propyl]cyclohexa-2,4-diene-1-carboxamide has a molecular weight of 291.44 g/mol, XLogP of 1.95, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-[3-(2,6-dimethylpiperidin-1-yl)propyl]cyclohexa-2,4-diene-1-carboxamide is sourced from PubChem (CID 23324053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).