4-(4-methylpiperazin-1-yl)cyclohex-3-ene-1-carboxamide

C12H21N3O — CID 166774536

IUPAC4-(4-methylpiperazin-1-yl)cyclohex-3-ene-1-carboxamide
SMILESCN1CCN(C2=CCC(C(N)=O)CC2)CC1
InChIInChI=1S/C12H21N3O/c1-14-6-8-15(9-7-14)11-4-2-10(3-5-11)12(13)16/h4,10H,2-3,5-9H2,1H3,(H2,13,16)
InChIKeyJIWCJCTXHZUWLZ-UHFFFAOYSA-N
MW223.32 g/mol
LogP0.40
Rot. Bonds2

About 4-(4-methylpiperazin-1-yl)cyclohex-3-ene-1-carboxamide

4-(4-methylpiperazin-1-yl)cyclohex-3-ene-1-carboxamide (PubChem CID 166774536) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 4-(4-methylpiperazin-1-yl)cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound Name4-(4-methylpiperazin-1-yl)cyclohex-3-ene-1-carboxamide
PubChem CID166774536
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name4-(4-methylpiperazin-1-yl)cyclohex-3-ene-1-carboxamide
SMILESCN1CCN(C2=CCC(C(N)=O)CC2)CC1
InChIInChI=1S/C12H21N3O/c1-14-6-8-15(9-7-14)11-4-2-10(3-5-11)12(13)16/h4,10H,2-3,5-9H2,1H3,(H2,13,16)
InChIKeyJIWCJCTXHZUWLZ-UHFFFAOYSA-N
XLogP0.40
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpiperazin-1-yl)cyclohex-3-ene-1-carboxamide?
The IUPAC name of 4-(4-methylpiperazin-1-yl)cyclohex-3-ene-1-carboxamide (CID 166774536) is 4-(4-methylpiperazin-1-yl)cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for 4-(4-methylpiperazin-1-yl)cyclohex-3-ene-1-carboxamide?
The canonical SMILES for 4-(4-methylpiperazin-1-yl)cyclohex-3-ene-1-carboxamide is CN1CCN(C2=CCC(C(N)=O)CC2)CC1.
What is the InChIKey of 4-(4-methylpiperazin-1-yl)cyclohex-3-ene-1-carboxamide?
The InChIKey is JIWCJCTXHZUWLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-14-6-8-15(9-7-14)11-4-2-10(3-5-11)12(13)16/h4,10H,2-3,5-9H2,1H3,(H2,13,16).
What are the key properties of 4-(4-methylpiperazin-1-yl)cyclohex-3-ene-1-carboxamide?
4-(4-methylpiperazin-1-yl)cyclohex-3-ene-1-carboxamide has a molecular weight of 223.32 g/mol, XLogP of 0.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpiperazin-1-yl)cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 166774536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).