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

C15H26N4O — CID 70453344

IUPAC6-amino-1-[3-(4-methylpiperazin-1-yl)propyl]cyclohexa-2,4-diene-1-carboxamide
SMILESCN1CCN(CCCC2(C(N)=O)C=CC=CC2N)CC1
InChIInChI=1S/C15H26N4O/c1-18-9-11-19(12-10-18)8-4-7-15(14(17)20)6-3-2-5-13(15)16/h2-3,5-6,13H,4,7-12,16H2,1H3,(H2,17,20)
InChIKeyBLAVTZSLCFXIAW-UHFFFAOYSA-N
MW278.40 g/mol
LogP-0.06
Rot. Bonds5

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

6-amino-1-[3-(4-methylpiperazin-1-yl)propyl]cyclohexa-2,4-diene-1-carboxamide (PubChem CID 70453344) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 6-amino-1-[3-(4-methylpiperazin-1-yl)propyl]cyclohexa-2,4-diene-1-carboxamide.

Molecular Properties

Compound Name6-amino-1-[3-(4-methylpiperazin-1-yl)propyl]cyclohexa-2,4-diene-1-carboxamide
PubChem CID70453344
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name6-amino-1-[3-(4-methylpiperazin-1-yl)propyl]cyclohexa-2,4-diene-1-carboxamide
SMILESCN1CCN(CCCC2(C(N)=O)C=CC=CC2N)CC1
InChIInChI=1S/C15H26N4O/c1-18-9-11-19(12-10-18)8-4-7-15(14(17)20)6-3-2-5-13(15)16/h2-3,5-6,13H,4,7-12,16H2,1H3,(H2,17,20)
InChIKeyBLAVTZSLCFXIAW-UHFFFAOYSA-N
XLogP-0.06
TPSA75.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-amino-1-[3-(4-methylpiperazin-1-yl)propyl]cyclohexa-2,4-diene-1-carboxamide?
The IUPAC name of 6-amino-1-[3-(4-methylpiperazin-1-yl)propyl]cyclohexa-2,4-diene-1-carboxamide (CID 70453344) is 6-amino-1-[3-(4-methylpiperazin-1-yl)propyl]cyclohexa-2,4-diene-1-carboxamide.
What is the SMILES notation for 6-amino-1-[3-(4-methylpiperazin-1-yl)propyl]cyclohexa-2,4-diene-1-carboxamide?
The canonical SMILES for 6-amino-1-[3-(4-methylpiperazin-1-yl)propyl]cyclohexa-2,4-diene-1-carboxamide is CN1CCN(CCCC2(C(N)=O)C=CC=CC2N)CC1.
What is the InChIKey of 6-amino-1-[3-(4-methylpiperazin-1-yl)propyl]cyclohexa-2,4-diene-1-carboxamide?
The InChIKey is BLAVTZSLCFXIAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-18-9-11-19(12-10-18)8-4-7-15(14(17)20)6-3-2-5-13(15)16/h2-3,5-6,13H,4,7-12,16H2,1H3,(H2,17,20).
What are the key properties of 6-amino-1-[3-(4-methylpiperazin-1-yl)propyl]cyclohexa-2,4-diene-1-carboxamide?
6-amino-1-[3-(4-methylpiperazin-1-yl)propyl]cyclohexa-2,4-diene-1-carboxamide has a molecular weight of 278.40 g/mol, XLogP of -0.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-[3-(4-methylpiperazin-1-yl)propyl]cyclohexa-2,4-diene-1-carboxamide is sourced from PubChem (CID 70453344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).