N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-5,6,7,8-tetrahydroindolizine-2-carboxamide

C23H30Cl2N4O — CID 11568598

IUPACN-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-5,6,7,8-tetrahydroindolizine-2-carboxamide
SMILESO=C(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc2n(c1)CCCC2
InChIInChI=1S/C23H30Cl2N4O/c24-20-7-5-8-21(22(20)25)28-14-12-27(13-15-28)10-4-2-9-26-23(30)18-16-19-6-1-3-11-29(19)17-18/h5,7-8,16-17H,1-4,6,9-15H2,(H,26,30)
InChIKeyNCSJHKXQTFSOJD-UHFFFAOYSA-N
MW449.43 g/mol
LogP4.46
Rot. Bonds7

About N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-5,6,7,8-tetrahydroindolizine-2-carboxamide

N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-5,6,7,8-tetrahydroindolizine-2-carboxamide (PubChem CID 11568598) has the molecular formula C23H30Cl2N4O and a molecular weight of 449.43 g/mol. Its IUPAC name is N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-5,6,7,8-tetrahydroindolizine-2-carboxamide.

Molecular Properties

Compound NameN-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-5,6,7,8-tetrahydroindolizine-2-carboxamide
PubChem CID11568598
Molecular FormulaC23H30Cl2N4O
Molecular Weight449.43 g/mol
Exact Mass448.18
IUPAC NameN-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-5,6,7,8-tetrahydroindolizine-2-carboxamide
SMILESO=C(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc2n(c1)CCCC2
InChIInChI=1S/C23H30Cl2N4O/c24-20-7-5-8-21(22(20)25)28-14-12-27(13-15-28)10-4-2-9-26-23(30)18-16-19-6-1-3-11-29(19)17-18/h5,7-8,16-17H,1-4,6,9-15H2,(H,26,30)
InChIKeyNCSJHKXQTFSOJD-UHFFFAOYSA-N
XLogP4.46
TPSA40.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.43
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]anthracene-2-carboxamide;hydrochloride
CID 21202834
3-cyclobutyl-N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-1,2,4,5-tetrahydro-3-benzazepine-7-carboxamide
CID 44529549
N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]pyrazolo[1,5-a]pyridine-2-carboxamide
CID 11662289
N-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]pyrazolo[1,5-a]pyridine-5-carboxamide
CID 11618583
N-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]acetamide
CID 59671452
N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-1H-indole-3-carboxamide
CID 10873956
N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-5-[(Z)-ethylideneamino]-4-methyl-1H-pyrrole-2-carboxamide
CID 143226888
5-bromo-N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-1H-indole-2-carboxamide
CID 10007017
4-bromo-N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-1-methoxynaphthalene-2-carboxamide
CID 11028157
N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-2,4-dimethyl-5-phenyl-1H-pyrrole-3-carboxamide
CID 58358816
4-[(4-chlorobenzoyl)amino]-N-[4-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)piperazin-1-yl]butyl]benzamide
CID 44532569
(3-phenylphenyl) N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]carbamate
CID 90467170

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-5,6,7,8-tetrahydroindolizine-2-carboxamide?
The IUPAC name of N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-5,6,7,8-tetrahydroindolizine-2-carboxamide (CID 11568598) is N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-5,6,7,8-tetrahydroindolizine-2-carboxamide.
What is the SMILES notation for N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-5,6,7,8-tetrahydroindolizine-2-carboxamide?
The canonical SMILES for N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-5,6,7,8-tetrahydroindolizine-2-carboxamide is O=C(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc2n(c1)CCCC2.
What is the InChIKey of N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-5,6,7,8-tetrahydroindolizine-2-carboxamide?
The InChIKey is NCSJHKXQTFSOJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30Cl2N4O/c24-20-7-5-8-21(22(20)25)28-14-12-27(13-15-28)10-4-2-9-26-23(30)18-16-19-6-1-3-11-29(19)17-18/h5,7-8,16-17H,1-4,6,9-15H2,(H,26,30).
What are the key properties of N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-5,6,7,8-tetrahydroindolizine-2-carboxamide?
N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-5,6,7,8-tetrahydroindolizine-2-carboxamide has a molecular weight of 449.43 g/mol, XLogP of 4.46, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-5,6,7,8-tetrahydroindolizine-2-carboxamide is sourced from PubChem (CID 11568598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).