2-[4-[1-benzofuran-2-yl-(1-tert-butyltetrazol-5-yl)methyl]piperazin-1-yl]-N-propan-2-ylacetamide

C23H33N7O2 — CID 53301022

IUPAC2-[4-[1-benzofuran-2-yl-(1-tert-butyltetrazol-5-yl)methyl]piperazin-1-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN1CCN(C(c2cc3ccccc3o2)c2nnnn2C(C)(C)C)CC1
InChIInChI=1S/C23H33N7O2/c1-16(2)24-20(31)15-28-10-12-29(13-11-28)21(22-25-26-27-30(22)23(3,4)5)19-14-17-8-6-7-9-18(17)32-19/h6-9,14,16,21H,10-13,15H2,1-5H3,(H,24,31)
InChIKeyPPKJNBPWFTWXIB-UHFFFAOYSA-N
MW439.56 g/mol
LogP2.41
Rot. Bonds6

About 2-[4-[1-benzofuran-2-yl-(1-tert-butyltetrazol-5-yl)methyl]piperazin-1-yl]-N-propan-2-ylacetamide

2-[4-[1-benzofuran-2-yl-(1-tert-butyltetrazol-5-yl)methyl]piperazin-1-yl]-N-propan-2-ylacetamide (PubChem CID 53301022) has the molecular formula C23H33N7O2 and a molecular weight of 439.56 g/mol. Its IUPAC name is 2-[4-[1-benzofuran-2-yl-(1-tert-butyltetrazol-5-yl)methyl]piperazin-1-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[4-[1-benzofuran-2-yl-(1-tert-butyltetrazol-5-yl)methyl]piperazin-1-yl]-N-propan-2-ylacetamide
PubChem CID53301022
Molecular FormulaC23H33N7O2
Molecular Weight439.56 g/mol
Exact Mass439.27
IUPAC Name2-[4-[1-benzofuran-2-yl-(1-tert-butyltetrazol-5-yl)methyl]piperazin-1-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN1CCN(C(c2cc3ccccc3o2)c2nnnn2C(C)(C)C)CC1
InChIInChI=1S/C23H33N7O2/c1-16(2)24-20(31)15-28-10-12-29(13-11-28)21(22-25-26-27-30(22)23(3,4)5)19-14-17-8-6-7-9-18(17)32-19/h6-9,14,16,21H,10-13,15H2,1-5H3,(H,24,31)
InChIKeyPPKJNBPWFTWXIB-UHFFFAOYSA-N
XLogP2.41
TPSA92.32 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.56
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-[4-[1-benzofuran-2-yl-(1-tert-butyltetrazol-5-yl)methyl]piperazin-1-yl]-N-propan-2-ylacetamide 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

3-[1-[1-benzofuran-2-yl-(1-butyltetrazol-5-yl)methyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 51360377
2-Ethoxy-N-[9-(1-furan-2-ylmethyl-1H-tetrazol-5-ylmethyl)-9-aza-bicyclo[3.3.1]non-3-yl]-benzamide
CID 655889
Furan-2-yl-{4-[[1-(2-methoxy-ethyl)-1H-tetrazol-5-yl]-(2-methoxy-phenyl)-methyl]-piperazin-1-yl}-methanone
CID 3209343
1-[1-benzofuran-2-yl-(1-cyclopentyltetrazol-5-yl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine
CID 51360442
8-[1-Benzofuran-2-yl-(1-cyclopentyltetrazol-5-yl)methyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 51360829
N-[1-benzofuran-2-yl-(1-tert-butyltetrazol-5-yl)methyl]-N-methyl-2-phenylethanamine
CID 53301024
Tert-butyl 4-[1-benzofuran-2-yl-(1-butyltetrazol-5-yl)methyl]piperazine-1-carboxylate
CID 53300924
3-[[1-Benzofuran-2-yl-(1-butyltetrazol-5-yl)methyl]-benzylamino]propanenitrile
CID 53300912
1-(1-benzofuran-2-yl)-N,N-dibenzyl-1-(1-butyltetrazol-5-yl)methanamine
CID 53300913
Ethyl 4-[1-benzofuran-2-yl-(1-butyltetrazol-5-yl)methyl]piperazine-1-carboxylate
CID 53300914
1-[1-Benzofuran-2-yl-(1-butyltetrazol-5-yl)methyl]-4-(2,6-dimethylphenyl)piperazine
CID 53300929
1-[1-Benzofuran-2-yl-(1-tert-butyltetrazol-5-yl)methyl]-4-(2,6-dimethylphenyl)piperazine
CID 53301028

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-benzofuran-2-yl-(1-tert-butyltetrazol-5-yl)methyl]piperazin-1-yl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[4-[1-benzofuran-2-yl-(1-tert-butyltetrazol-5-yl)methyl]piperazin-1-yl]-N-propan-2-ylacetamide (CID 53301022) is 2-[4-[1-benzofuran-2-yl-(1-tert-butyltetrazol-5-yl)methyl]piperazin-1-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[4-[1-benzofuran-2-yl-(1-tert-butyltetrazol-5-yl)methyl]piperazin-1-yl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[4-[1-benzofuran-2-yl-(1-tert-butyltetrazol-5-yl)methyl]piperazin-1-yl]-N-propan-2-ylacetamide is CC(C)NC(=O)CN1CCN(C(c2cc3ccccc3o2)c2nnnn2C(C)(C)C)CC1.
What is the InChIKey of 2-[4-[1-benzofuran-2-yl-(1-tert-butyltetrazol-5-yl)methyl]piperazin-1-yl]-N-propan-2-ylacetamide?
The InChIKey is PPKJNBPWFTWXIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N7O2/c1-16(2)24-20(31)15-28-10-12-29(13-11-28)21(22-25-26-27-30(22)23(3,4)5)19-14-17-8-6-7-9-18(17)32-19/h6-9,14,16,21H,10-13,15H2,1-5H3,(H,24,31).
What are the key properties of 2-[4-[1-benzofuran-2-yl-(1-tert-butyltetrazol-5-yl)methyl]piperazin-1-yl]-N-propan-2-ylacetamide?
2-[4-[1-benzofuran-2-yl-(1-tert-butyltetrazol-5-yl)methyl]piperazin-1-yl]-N-propan-2-ylacetamide has a molecular weight of 439.56 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-benzofuran-2-yl-(1-tert-butyltetrazol-5-yl)methyl]piperazin-1-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 53301022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).