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

C16H27N3O — CID 23324097

IUPAC6-amino-1-[3-(2-methylpiperidin-1-yl)propyl]cyclohexa-2,4-diene-1-carboxamide
SMILESCC1CCCCN1CCCC1(C(N)=O)C=CC=CC1N
InChIInChI=1S/C16H27N3O/c1-13-7-3-5-11-19(13)12-6-10-16(15(18)20)9-4-2-8-14(16)17/h2,4,8-9,13-14H,3,5-7,10-12,17H2,1H3,(H2,18,20)
InChIKeyWQVSHWXKKLSMOP-UHFFFAOYSA-N
MW277.41 g/mol
LogP1.57
Rot. Bonds5

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

6-amino-1-[3-(2-methylpiperidin-1-yl)propyl]cyclohexa-2,4-diene-1-carboxamide (PubChem CID 23324097) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 6-amino-1-[3-(2-methylpiperidin-1-yl)propyl]cyclohexa-2,4-diene-1-carboxamide.

Molecular Properties

Compound Name6-amino-1-[3-(2-methylpiperidin-1-yl)propyl]cyclohexa-2,4-diene-1-carboxamide
PubChem CID23324097
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name6-amino-1-[3-(2-methylpiperidin-1-yl)propyl]cyclohexa-2,4-diene-1-carboxamide
SMILESCC1CCCCN1CCCC1(C(N)=O)C=CC=CC1N
InChIInChI=1S/C16H27N3O/c1-13-7-3-5-11-19(13)12-6-10-16(15(18)20)9-4-2-8-14(16)17/h2,4,8-9,13-14H,3,5-7,10-12,17H2,1H3,(H2,18,20)
InChIKeyWQVSHWXKKLSMOP-UHFFFAOYSA-N
XLogP1.57
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 51.57
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-methylpiperidin-1-yl)propyl]cyclohexa-2,4-diene-1-carboxamide?
The IUPAC name of 6-amino-1-[3-(2-methylpiperidin-1-yl)propyl]cyclohexa-2,4-diene-1-carboxamide (CID 23324097) is 6-amino-1-[3-(2-methylpiperidin-1-yl)propyl]cyclohexa-2,4-diene-1-carboxamide.
What is the SMILES notation for 6-amino-1-[3-(2-methylpiperidin-1-yl)propyl]cyclohexa-2,4-diene-1-carboxamide?
The canonical SMILES for 6-amino-1-[3-(2-methylpiperidin-1-yl)propyl]cyclohexa-2,4-diene-1-carboxamide is CC1CCCCN1CCCC1(C(N)=O)C=CC=CC1N.
What is the InChIKey of 6-amino-1-[3-(2-methylpiperidin-1-yl)propyl]cyclohexa-2,4-diene-1-carboxamide?
The InChIKey is WQVSHWXKKLSMOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-13-7-3-5-11-19(13)12-6-10-16(15(18)20)9-4-2-8-14(16)17/h2,4,8-9,13-14H,3,5-7,10-12,17H2,1H3,(H2,18,20).
What are the key properties of 6-amino-1-[3-(2-methylpiperidin-1-yl)propyl]cyclohexa-2,4-diene-1-carboxamide?
6-amino-1-[3-(2-methylpiperidin-1-yl)propyl]cyclohexa-2,4-diene-1-carboxamide has a molecular weight of 277.41 g/mol, XLogP of 1.57, 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-methylpiperidin-1-yl)propyl]cyclohexa-2,4-diene-1-carboxamide is sourced from PubChem (CID 23324097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).