4-(1,3-benzodioxol-5-ylmethyl)-N-(1-phenylcyclobutyl)piperazine-1-carboxamide

C23H27N3O3 — CID 113216949

IUPAC4-(1,3-benzodioxol-5-ylmethyl)-N-(1-phenylcyclobutyl)piperazine-1-carboxamide
SMILESO=C(NC1(c2ccccc2)CCC1)N1CCN(Cc2ccc3c(c2)OCO3)CC1
InChIInChI=1S/C23H27N3O3/c27-22(24-23(9-4-10-23)19-5-2-1-3-6-19)26-13-11-25(12-14-26)16-18-7-8-20-21(15-18)29-17-28-20/h1-3,5-8,15H,4,9-14,16-17H2,(H,24,27)
InChIKeyZFKMOPHYICWRCQ-UHFFFAOYSA-N
MW393.49 g/mol
LogP3.32
Rot. Bonds4

About 4-(1,3-benzodioxol-5-ylmethyl)-N-(1-phenylcyclobutyl)piperazine-1-carboxamide

4-(1,3-benzodioxol-5-ylmethyl)-N-(1-phenylcyclobutyl)piperazine-1-carboxamide (PubChem CID 113216949) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is 4-(1,3-benzodioxol-5-ylmethyl)-N-(1-phenylcyclobutyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(1,3-benzodioxol-5-ylmethyl)-N-(1-phenylcyclobutyl)piperazine-1-carboxamide
PubChem CID113216949
Molecular FormulaC23H27N3O3
Molecular Weight393.49 g/mol
Exact Mass393.21
IUPAC Name4-(1,3-benzodioxol-5-ylmethyl)-N-(1-phenylcyclobutyl)piperazine-1-carboxamide
SMILESO=C(NC1(c2ccccc2)CCC1)N1CCN(Cc2ccc3c(c2)OCO3)CC1
InChIInChI=1S/C23H27N3O3/c27-22(24-23(9-4-10-23)19-5-2-1-3-6-19)26-13-11-25(12-14-26)16-18-7-8-20-21(15-18)29-17-28-20/h1-3,5-8,15H,4,9-14,16-17H2,(H,24,27)
InChIKeyZFKMOPHYICWRCQ-UHFFFAOYSA-N
XLogP3.32
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(1,3-benzodioxol-5-ylmethyl)-N-(1-phenylcyclobutyl)piperazine-1-carboxamide 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

4-(1,3-benzodioxol-5-ylmethyl)-N-(1-phenylethyl)piperazine-1-carboxamide
CID 108988779
1-[1-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]cyclopentyl]-3-benzylurea
CID 46537305
4-(1,3-benzodioxol-5-ylmethyl)-N-(2-sulfanylphenyl)piperazine-1-carboxamide
CID 108886536
1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-phenylsulfanylethanone
CID 4807041
3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-oxo-N-phenylpropanamide
CID 108950404
1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-phenoxyethanone
CID 1112885
4-(1,3-benzodioxol-5-ylmethyl)-N-(3,5-dihydroxyphenyl)piperazine-1-carboxamide
CID 108895611
4-(1,3-benzodioxol-5-ylmethyl)-N-phenylpiperazine-1-carbothioamide
CID 2260888
4-(1,3-benzodioxol-5-ylmethyl)-N-(3-bromophenyl)piperazine-1-carboxamide
CID 3570763
4-(1,3-benzodioxol-5-ylmethyl)-N-(thiophen-2-ylmethyl)piperazine-1-carboxamide
CID 94478472
4-(1,3-benzodioxol-5-ylmethyl)-N-(3-chlorophenyl)piperazine-1-carboxamide
CID 1079402
1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(1-phenylethylamino)ethanone
CID 78694659

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-benzodioxol-5-ylmethyl)-N-(1-phenylcyclobutyl)piperazine-1-carboxamide?
The IUPAC name of 4-(1,3-benzodioxol-5-ylmethyl)-N-(1-phenylcyclobutyl)piperazine-1-carboxamide (CID 113216949) is 4-(1,3-benzodioxol-5-ylmethyl)-N-(1-phenylcyclobutyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(1,3-benzodioxol-5-ylmethyl)-N-(1-phenylcyclobutyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(1,3-benzodioxol-5-ylmethyl)-N-(1-phenylcyclobutyl)piperazine-1-carboxamide is O=C(NC1(c2ccccc2)CCC1)N1CCN(Cc2ccc3c(c2)OCO3)CC1.
What is the InChIKey of 4-(1,3-benzodioxol-5-ylmethyl)-N-(1-phenylcyclobutyl)piperazine-1-carboxamide?
The InChIKey is ZFKMOPHYICWRCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3/c27-22(24-23(9-4-10-23)19-5-2-1-3-6-19)26-13-11-25(12-14-26)16-18-7-8-20-21(15-18)29-17-28-20/h1-3,5-8,15H,4,9-14,16-17H2,(H,24,27).
What are the key properties of 4-(1,3-benzodioxol-5-ylmethyl)-N-(1-phenylcyclobutyl)piperazine-1-carboxamide?
4-(1,3-benzodioxol-5-ylmethyl)-N-(1-phenylcyclobutyl)piperazine-1-carboxamide has a molecular weight of 393.49 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-benzodioxol-5-ylmethyl)-N-(1-phenylcyclobutyl)piperazine-1-carboxamide is sourced from PubChem (CID 113216949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).