benzyl 4-[2-(4-propan-2-ylphenoxy)propanoyl]piperazine-1-carboxylate

C24H30N2O4 — CID 108568968

IUPACbenzyl 4-[2-(4-propan-2-ylphenoxy)propanoyl]piperazine-1-carboxylate
SMILESCC(Oc1ccc(C(C)C)cc1)C(=O)N1CCN(C(=O)OCc2ccccc2)CC1
InChIInChI=1S/C24H30N2O4/c1-18(2)21-9-11-22(12-10-21)30-19(3)23(27)25-13-15-26(16-14-25)24(28)29-17-20-7-5-4-6-8-20/h4-12,18-19H,13-17H2,1-3H3
InChIKeyUXXDNFMZQVDAPV-UHFFFAOYSA-N
MW410.51 g/mol
LogP4.06
Rot. Bonds6

About benzyl 4-[2-(4-propan-2-ylphenoxy)propanoyl]piperazine-1-carboxylate

benzyl 4-[2-(4-propan-2-ylphenoxy)propanoyl]piperazine-1-carboxylate (PubChem CID 108568968) has the molecular formula C24H30N2O4 and a molecular weight of 410.51 g/mol. Its IUPAC name is benzyl 4-[2-(4-propan-2-ylphenoxy)propanoyl]piperazine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 4-[2-(4-propan-2-ylphenoxy)propanoyl]piperazine-1-carboxylate
PubChem CID108568968
Molecular FormulaC24H30N2O4
Molecular Weight410.51 g/mol
Exact Mass410.22
IUPAC Namebenzyl 4-[2-(4-propan-2-ylphenoxy)propanoyl]piperazine-1-carboxylate
SMILESCC(Oc1ccc(C(C)C)cc1)C(=O)N1CCN(C(=O)OCc2ccccc2)CC1
InChIInChI=1S/C24H30N2O4/c1-18(2)21-9-11-22(12-10-21)30-19(3)23(27)25-13-15-26(16-14-25)24(28)29-17-20-7-5-4-6-8-20/h4-12,18-19H,13-17H2,1-3H3
InChIKeyUXXDNFMZQVDAPV-UHFFFAOYSA-N
XLogP4.06
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.51
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze benzyl 4-[2-(4-propan-2-ylphenoxy)propanoyl]piperazine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-(2-phenylacetyl)piperazin-1-yl]-2-(4-propan-2-ylphenoxy)propan-1-one
CID 108534738
(2R)-2-(4-propan-2-ylphenoxy)-1-pyrrolidin-1-ylpropan-1-one
CID 95358331
tribenzyl 1,4,7-triazonane-1,4,7-tricarboxylate
CID 54056276
2-ethyl-1-[4-[2-(4-propan-2-ylphenoxy)propanoyl]piperazin-1-yl]butan-1-one
CID 108536039
benzyl aziridine-1-carboxylate;silane
CID 158496499
2-methyl-1-[4-[2-(4-propan-2-ylphenoxy)propanoyl]-1,4-diazepan-1-yl]propan-1-one
CID 108546843
1-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]-2-(4-propan-2-ylphenoxy)propan-1-one
CID 108568972
1-[4-(2-hydroxybenzoyl)piperazin-1-yl]-2-(4-propan-2-ylphenoxy)propan-1-one
CID 108534785
1-[4-[2-(4-propan-2-ylphenoxy)propanoyl]piperazin-1-yl]pentane-1,4-dione
CID 108536062
1-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-2-(4-propan-2-ylphenoxy)propan-1-one
CID 108544727
(2S)-2-(4-propan-2-ylphenoxy)-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
CID 42562844
1-(4-benzylpiperazin-1-yl)-2-(4-methylphenoxy)propan-1-one
CID 17200498

Frequently Asked Questions

What is the IUPAC name of benzyl 4-[2-(4-propan-2-ylphenoxy)propanoyl]piperazine-1-carboxylate?
The IUPAC name of benzyl 4-[2-(4-propan-2-ylphenoxy)propanoyl]piperazine-1-carboxylate (CID 108568968) is benzyl 4-[2-(4-propan-2-ylphenoxy)propanoyl]piperazine-1-carboxylate.
What is the SMILES notation for benzyl 4-[2-(4-propan-2-ylphenoxy)propanoyl]piperazine-1-carboxylate?
The canonical SMILES for benzyl 4-[2-(4-propan-2-ylphenoxy)propanoyl]piperazine-1-carboxylate is CC(Oc1ccc(C(C)C)cc1)C(=O)N1CCN(C(=O)OCc2ccccc2)CC1.
What is the InChIKey of benzyl 4-[2-(4-propan-2-ylphenoxy)propanoyl]piperazine-1-carboxylate?
The InChIKey is UXXDNFMZQVDAPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O4/c1-18(2)21-9-11-22(12-10-21)30-19(3)23(27)25-13-15-26(16-14-25)24(28)29-17-20-7-5-4-6-8-20/h4-12,18-19H,13-17H2,1-3H3.
What are the key properties of benzyl 4-[2-(4-propan-2-ylphenoxy)propanoyl]piperazine-1-carboxylate?
benzyl 4-[2-(4-propan-2-ylphenoxy)propanoyl]piperazine-1-carboxylate has a molecular weight of 410.51 g/mol, XLogP of 4.06, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-[2-(4-propan-2-ylphenoxy)propanoyl]piperazine-1-carboxylate is sourced from PubChem (CID 108568968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).