[4-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]indolizin-4-ium-1-yl]urea

C24H32N5O2+ — CID 87747471

IUPAC[4-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]indolizin-4-ium-1-yl]urea
SMILESCOc1ccccc1N1CCN(CCCC[N+]23C=CC=CC2=C(NC(N)=O)C=C3)CC1
InChIInChI=1S/C24H31N5O2/c1-31-23-10-3-2-8-21(23)28-15-13-27(14-16-28)12-5-7-18-29-17-6-4-9-22(29)20(11-19-29)26-24(25)30/h2-4,6,8-11,17,19H,5,7,12-16,18H2,1H3,(H2-,25,26,30)/p+1
InChIKeyGJSJDSRIGKWPMY-UHFFFAOYSA-O
MW422.55 g/mol
LogP2.90
Rot. Bonds8

About [4-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]indolizin-4-ium-1-yl]urea

[4-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]indolizin-4-ium-1-yl]urea (PubChem CID 87747471) has the molecular formula C24H32N5O2+ and a molecular weight of 422.55 g/mol. Its IUPAC name is [4-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]indolizin-4-ium-1-yl]urea.

Molecular Properties

Compound Name[4-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]indolizin-4-ium-1-yl]urea
PubChem CID87747471
Molecular FormulaC24H32N5O2+
Molecular Weight422.55 g/mol
Exact Mass422.26
IUPAC Name[4-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]indolizin-4-ium-1-yl]urea
SMILESCOc1ccccc1N1CCN(CCCC[N+]23C=CC=CC2=C(NC(N)=O)C=C3)CC1
InChIInChI=1S/C24H31N5O2/c1-31-23-10-3-2-8-21(23)28-15-13-27(14-16-28)12-5-7-18-29-17-6-4-9-22(29)20(11-19-29)26-24(25)30/h2-4,6,8-11,17,19H,5,7,12-16,18H2,1H3,(H2-,25,26,30)/p+1
InChIKeyGJSJDSRIGKWPMY-UHFFFAOYSA-O
XLogP2.90
TPSA70.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.55
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze [4-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]indolizin-4-ium-1-yl]urea 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-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]indolizin-4-ium-2-yl]urea
CID 87747847
[5-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentanoyl]-2-methylsulfinylphenyl]urea
CID 3063186
3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
CID 10849160
3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-amine
CID 10467259
1-(4-hydroxyphenyl)-6-[4-(2-methoxyphenyl)piperazin-1-yl]hexan-1-one
CID 11825129
[3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]imidazo[4,5-b]pyridin-2-yl]urea
CID 69452906
1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]triazole-4-carboxylic acid
CID 142648062
3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-1,3-benzoxazol-2-one
CID 10714877
methyl 1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]triazole-4-carboxylate;hydrochloride
CID 142648016
4-tert-butyl-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]benzamide
CID 10971923
2-[2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]phenyl]acetic acid
CID 174365848
1-[3-(dimethylsulfamoylamino)propyl]-4-(2-methoxyphenyl)piperazine
CID 110284680

Frequently Asked Questions

What is the IUPAC name of [4-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]indolizin-4-ium-1-yl]urea?
The IUPAC name of [4-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]indolizin-4-ium-1-yl]urea (CID 87747471) is [4-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]indolizin-4-ium-1-yl]urea.
What is the SMILES notation for [4-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]indolizin-4-ium-1-yl]urea?
The canonical SMILES for [4-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]indolizin-4-ium-1-yl]urea is COc1ccccc1N1CCN(CCCC[N+]23C=CC=CC2=C(NC(N)=O)C=C3)CC1.
What is the InChIKey of [4-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]indolizin-4-ium-1-yl]urea?
The InChIKey is GJSJDSRIGKWPMY-UHFFFAOYSA-O. The full InChI is InChI=1S/C24H31N5O2/c1-31-23-10-3-2-8-21(23)28-15-13-27(14-16-28)12-5-7-18-29-17-6-4-9-22(29)20(11-19-29)26-24(25)30/h2-4,6,8-11,17,19H,5,7,12-16,18H2,1H3,(H2-,25,26,30)/p+1.
What are the key properties of [4-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]indolizin-4-ium-1-yl]urea?
[4-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]indolizin-4-ium-1-yl]urea has a molecular weight of 422.55 g/mol, XLogP of 2.90, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]indolizin-4-ium-1-yl]urea is sourced from PubChem (CID 87747471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).