3-[4-[2-(4-tert-butylcyclohexyl)phenyl]piperazin-1-yl]-N-ethylpropanamide

C25H41N3O — CID 23142984

IUPAC3-[4-[2-(4-tert-butylcyclohexyl)phenyl]piperazin-1-yl]-N-ethylpropanamide
SMILESCCNC(=O)CCN1CCN(c2ccccc2C2CCC(C(C)(C)C)CC2)CC1
InChIInChI=1S/C25H41N3O/c1-5-26-24(29)14-15-27-16-18-28(19-17-27)23-9-7-6-8-22(23)20-10-12-21(13-11-20)25(2,3)4/h6-9,20-21H,5,10-19H2,1-4H3,(H,26,29)
InChIKeyPGUQPPWUZOGHDO-UHFFFAOYSA-N
MW399.62 g/mol
LogP4.65
Rot. Bonds6

About 3-[4-[2-(4-tert-butylcyclohexyl)phenyl]piperazin-1-yl]-N-ethylpropanamide

3-[4-[2-(4-tert-butylcyclohexyl)phenyl]piperazin-1-yl]-N-ethylpropanamide (PubChem CID 23142984) has the molecular formula C25H41N3O and a molecular weight of 399.62 g/mol. Its IUPAC name is 3-[4-[2-(4-tert-butylcyclohexyl)phenyl]piperazin-1-yl]-N-ethylpropanamide.

Molecular Properties

Compound Name3-[4-[2-(4-tert-butylcyclohexyl)phenyl]piperazin-1-yl]-N-ethylpropanamide
PubChem CID23142984
Molecular FormulaC25H41N3O
Molecular Weight399.62 g/mol
Exact Mass399.32
IUPAC Name3-[4-[2-(4-tert-butylcyclohexyl)phenyl]piperazin-1-yl]-N-ethylpropanamide
SMILESCCNC(=O)CCN1CCN(c2ccccc2C2CCC(C(C)(C)C)CC2)CC1
InChIInChI=1S/C25H41N3O/c1-5-26-24(29)14-15-27-16-18-28(19-17-27)23-9-7-6-8-22(23)20-10-12-21(13-11-20)25(2,3)4/h6-9,20-21H,5,10-19H2,1-4H3,(H,26,29)
InChIKeyPGUQPPWUZOGHDO-UHFFFAOYSA-N
XLogP4.65
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.62
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-(4-tert-butylcyclohexyl)phenyl]piperazin-1-yl]-N-ethylpropanamide?
The IUPAC name of 3-[4-[2-(4-tert-butylcyclohexyl)phenyl]piperazin-1-yl]-N-ethylpropanamide (CID 23142984) is 3-[4-[2-(4-tert-butylcyclohexyl)phenyl]piperazin-1-yl]-N-ethylpropanamide.
What is the SMILES notation for 3-[4-[2-(4-tert-butylcyclohexyl)phenyl]piperazin-1-yl]-N-ethylpropanamide?
The canonical SMILES for 3-[4-[2-(4-tert-butylcyclohexyl)phenyl]piperazin-1-yl]-N-ethylpropanamide is CCNC(=O)CCN1CCN(c2ccccc2C2CCC(C(C)(C)C)CC2)CC1.
What is the InChIKey of 3-[4-[2-(4-tert-butylcyclohexyl)phenyl]piperazin-1-yl]-N-ethylpropanamide?
The InChIKey is PGUQPPWUZOGHDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H41N3O/c1-5-26-24(29)14-15-27-16-18-28(19-17-27)23-9-7-6-8-22(23)20-10-12-21(13-11-20)25(2,3)4/h6-9,20-21H,5,10-19H2,1-4H3,(H,26,29).
What are the key properties of 3-[4-[2-(4-tert-butylcyclohexyl)phenyl]piperazin-1-yl]-N-ethylpropanamide?
3-[4-[2-(4-tert-butylcyclohexyl)phenyl]piperazin-1-yl]-N-ethylpropanamide has a molecular weight of 399.62 g/mol, XLogP of 4.65, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2-(4-tert-butylcyclohexyl)phenyl]piperazin-1-yl]-N-ethylpropanamide is sourced from PubChem (CID 23142984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).