N-[1-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-9-methylcarbazole-2-carboxamide

C28H30Cl2N4O — CID 21266859

IUPACN-[1-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-9-methylcarbazole-2-carboxamide
SMILESCCCC(NC(=O)c1ccc2c3ccccc3n(C)c2c1)N1CCN(c2cccc(Cl)c2Cl)CC1
InChIInChI=1S/C28H30Cl2N4O/c1-3-7-26(34-16-14-33(15-17-34)24-11-6-9-22(29)27(24)30)31-28(35)19-12-13-21-20-8-4-5-10-23(20)32(2)25(21)18-19/h4-6,8-13,18,26H,3,7,14-17H2,1-2H3,(H,31,35)
InChIKeyHYZCDTLCNQXONA-UHFFFAOYSA-N
MW509.48 g/mol
LogP6.32
Rot. Bonds6

About N-[1-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-9-methylcarbazole-2-carboxamide

N-[1-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-9-methylcarbazole-2-carboxamide (PubChem CID 21266859) has the molecular formula C28H30Cl2N4O and a molecular weight of 509.48 g/mol. Its IUPAC name is N-[1-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-9-methylcarbazole-2-carboxamide.

Molecular Properties

Compound NameN-[1-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-9-methylcarbazole-2-carboxamide
PubChem CID21266859
Molecular FormulaC28H30Cl2N4O
Molecular Weight509.48 g/mol
Exact Mass508.18
IUPAC NameN-[1-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-9-methylcarbazole-2-carboxamide
SMILESCCCC(NC(=O)c1ccc2c3ccccc3n(C)c2c1)N1CCN(c2cccc(Cl)c2Cl)CC1
InChIInChI=1S/C28H30Cl2N4O/c1-3-7-26(34-16-14-33(15-17-34)24-11-6-9-22(29)27(24)30)31-28(35)19-12-13-21-20-8-4-5-10-23(20)32(2)25(21)18-19/h4-6,8-13,18,26H,3,7,14-17H2,1-2H3,(H,31,35)
InChIKeyHYZCDTLCNQXONA-UHFFFAOYSA-N
XLogP6.32
TPSA40.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.48
LogP ≤ 56.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-9-methylcarbazole-2-carboxamide?
The IUPAC name of N-[1-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-9-methylcarbazole-2-carboxamide (CID 21266859) is N-[1-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-9-methylcarbazole-2-carboxamide.
What is the SMILES notation for N-[1-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-9-methylcarbazole-2-carboxamide?
The canonical SMILES for N-[1-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-9-methylcarbazole-2-carboxamide is CCCC(NC(=O)c1ccc2c3ccccc3n(C)c2c1)N1CCN(c2cccc(Cl)c2Cl)CC1.
What is the InChIKey of N-[1-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-9-methylcarbazole-2-carboxamide?
The InChIKey is HYZCDTLCNQXONA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30Cl2N4O/c1-3-7-26(34-16-14-33(15-17-34)24-11-6-9-22(29)27(24)30)31-28(35)19-12-13-21-20-8-4-5-10-23(20)32(2)25(21)18-19/h4-6,8-13,18,26H,3,7,14-17H2,1-2H3,(H,31,35).
What are the key properties of N-[1-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-9-methylcarbazole-2-carboxamide?
N-[1-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-9-methylcarbazole-2-carboxamide has a molecular weight of 509.48 g/mol, XLogP of 6.32, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-9-methylcarbazole-2-carboxamide is sourced from PubChem (CID 21266859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).