6-amino-1-(3-piperidin-1-ylpropyl)cyclohexa-2,4-diene-1-carboxamide

C15H25N3O — CID 23324118

IUPAC6-amino-1-(3-piperidin-1-ylpropyl)cyclohexa-2,4-diene-1-carboxamide
SMILESNC(=O)C1(CCCN2CCCCC2)C=CC=CC1N
InChIInChI=1S/C15H25N3O/c16-13-7-2-3-8-15(13,14(17)19)9-6-12-18-10-4-1-5-11-18/h2-3,7-8,13H,1,4-6,9-12,16H2,(H2,17,19)
InChIKeyOYJUTOHWJUZYJN-UHFFFAOYSA-N
MW263.38 g/mol
LogP1.18
Rot. Bonds5

About 6-amino-1-(3-piperidin-1-ylpropyl)cyclohexa-2,4-diene-1-carboxamide

6-amino-1-(3-piperidin-1-ylpropyl)cyclohexa-2,4-diene-1-carboxamide (PubChem CID 23324118) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 6-amino-1-(3-piperidin-1-ylpropyl)cyclohexa-2,4-diene-1-carboxamide.

Molecular Properties

Compound Name6-amino-1-(3-piperidin-1-ylpropyl)cyclohexa-2,4-diene-1-carboxamide
PubChem CID23324118
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name6-amino-1-(3-piperidin-1-ylpropyl)cyclohexa-2,4-diene-1-carboxamide
SMILESNC(=O)C1(CCCN2CCCCC2)C=CC=CC1N
InChIInChI=1S/C15H25N3O/c16-13-7-2-3-8-15(13,14(17)19)9-6-12-18-10-4-1-5-11-18/h2-3,7-8,13H,1,4-6,9-12,16H2,(H2,17,19)
InChIKeyOYJUTOHWJUZYJN-UHFFFAOYSA-N
XLogP1.18
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 51.18
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-piperidin-1-ylpropyl)cyclohexa-2,4-diene-1-carboxamide?
The IUPAC name of 6-amino-1-(3-piperidin-1-ylpropyl)cyclohexa-2,4-diene-1-carboxamide (CID 23324118) is 6-amino-1-(3-piperidin-1-ylpropyl)cyclohexa-2,4-diene-1-carboxamide.
What is the SMILES notation for 6-amino-1-(3-piperidin-1-ylpropyl)cyclohexa-2,4-diene-1-carboxamide?
The canonical SMILES for 6-amino-1-(3-piperidin-1-ylpropyl)cyclohexa-2,4-diene-1-carboxamide is NC(=O)C1(CCCN2CCCCC2)C=CC=CC1N.
What is the InChIKey of 6-amino-1-(3-piperidin-1-ylpropyl)cyclohexa-2,4-diene-1-carboxamide?
The InChIKey is OYJUTOHWJUZYJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c16-13-7-2-3-8-15(13,14(17)19)9-6-12-18-10-4-1-5-11-18/h2-3,7-8,13H,1,4-6,9-12,16H2,(H2,17,19).
What are the key properties of 6-amino-1-(3-piperidin-1-ylpropyl)cyclohexa-2,4-diene-1-carboxamide?
6-amino-1-(3-piperidin-1-ylpropyl)cyclohexa-2,4-diene-1-carboxamide has a molecular weight of 263.38 g/mol, XLogP of 1.18, 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-piperidin-1-ylpropyl)cyclohexa-2,4-diene-1-carboxamide is sourced from PubChem (CID 23324118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).