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

C15H25N3O — CID 70510303

IUPAC1-[3-(4-methylpiperazin-1-yl)propyl]cyclohexa-2,4-diene-1-carboxamide
SMILESCN1CCN(CCCC2(C(N)=O)C=CC=CC2)CC1
InChIInChI=1S/C15H25N3O/c1-17-10-12-18(13-11-17)9-5-8-15(14(16)19)6-3-2-4-7-15/h2-4,6H,5,7-13H2,1H3,(H2,16,19)
InChIKeyNEJOFYRWRPLSPW-UHFFFAOYSA-N
MW263.38 g/mol
LogP1.00
Rot. Bonds5

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

1-[3-(4-methylpiperazin-1-yl)propyl]cyclohexa-2,4-diene-1-carboxamide (PubChem CID 70510303) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-[3-(4-methylpiperazin-1-yl)propyl]cyclohexa-2,4-diene-1-carboxamide.

Molecular Properties

Compound Name1-[3-(4-methylpiperazin-1-yl)propyl]cyclohexa-2,4-diene-1-carboxamide
PubChem CID70510303
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name1-[3-(4-methylpiperazin-1-yl)propyl]cyclohexa-2,4-diene-1-carboxamide
SMILESCN1CCN(CCCC2(C(N)=O)C=CC=CC2)CC1
InChIInChI=1S/C15H25N3O/c1-17-10-12-18(13-11-17)9-5-8-15(14(16)19)6-3-2-4-7-15/h2-4,6H,5,7-13H2,1H3,(H2,16,19)
InChIKeyNEJOFYRWRPLSPW-UHFFFAOYSA-N
XLogP1.00
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

CID 90333869
CID 90333869
CID 91560293
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CID 164630537
CID 164630537
CID 3052997
CID 3052997
CID 71421676
CID 71421676
CID 129852257
CID 129852257
CID 23324053
CID 23324053
CID 23324097
CID 23324097
CID 23324118
CID 23324118
CID 68264249
CID 68264249
CID 70453344
CID 70453344
CID 70509241
CID 70509241

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-methylpiperazin-1-yl)propyl]cyclohexa-2,4-diene-1-carboxamide?
The IUPAC name of 1-[3-(4-methylpiperazin-1-yl)propyl]cyclohexa-2,4-diene-1-carboxamide (CID 70510303) is 1-[3-(4-methylpiperazin-1-yl)propyl]cyclohexa-2,4-diene-1-carboxamide.
What is the SMILES notation for 1-[3-(4-methylpiperazin-1-yl)propyl]cyclohexa-2,4-diene-1-carboxamide?
The canonical SMILES for 1-[3-(4-methylpiperazin-1-yl)propyl]cyclohexa-2,4-diene-1-carboxamide is CN1CCN(CCCC2(C(N)=O)C=CC=CC2)CC1.
What is the InChIKey of 1-[3-(4-methylpiperazin-1-yl)propyl]cyclohexa-2,4-diene-1-carboxamide?
The InChIKey is NEJOFYRWRPLSPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-17-10-12-18(13-11-17)9-5-8-15(14(16)19)6-3-2-4-7-15/h2-4,6H,5,7-13H2,1H3,(H2,16,19).
What are the key properties of 1-[3-(4-methylpiperazin-1-yl)propyl]cyclohexa-2,4-diene-1-carboxamide?
1-[3-(4-methylpiperazin-1-yl)propyl]cyclohexa-2,4-diene-1-carboxamide has a molecular weight of 263.38 g/mol, XLogP of 1.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-methylpiperazin-1-yl)propyl]cyclohexa-2,4-diene-1-carboxamide is sourced from PubChem (CID 70510303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).