N-(3-chlorophenyl)-4-(9H-fluoren-9-yl)piperazine-1-carboxamide

C24H22ClN3O — CID 2814681

IUPACN-(3-chlorophenyl)-4-(9H-fluoren-9-yl)piperazine-1-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)N1CCN(C2c3ccccc3-c3ccccc32)CC1
InChIInChI=1S/C24H22ClN3O/c25-17-6-5-7-18(16-17)26-24(29)28-14-12-27(13-15-28)23-21-10-3-1-8-19(21)20-9-2-4-11-22(20)23/h1-11,16,23H,12-15H2,(H,26,29)
InChIKeyWQVCTQFONPCJLZ-UHFFFAOYSA-N
MW403.91 g/mol
LogP5.26
Rot. Bonds2

About N-(3-chlorophenyl)-4-(9H-fluoren-9-yl)piperazine-1-carboxamide

N-(3-chlorophenyl)-4-(9H-fluoren-9-yl)piperazine-1-carboxamide (PubChem CID 2814681) has the molecular formula C24H22ClN3O and a molecular weight of 403.91 g/mol. Its IUPAC name is N-(3-chlorophenyl)-4-(9H-fluoren-9-yl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-4-(9H-fluoren-9-yl)piperazine-1-carboxamide
PubChem CID2814681
Molecular FormulaC24H22ClN3O
Molecular Weight403.91 g/mol
Exact Mass403.15
IUPAC NameN-(3-chlorophenyl)-4-(9H-fluoren-9-yl)piperazine-1-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)N1CCN(C2c3ccccc3-c3ccccc32)CC1
InChIInChI=1S/C24H22ClN3O/c25-17-6-5-7-18(16-17)26-24(29)28-14-12-27(13-15-28)23-21-10-3-1-8-19(21)20-9-2-4-11-22(20)23/h1-11,16,23H,12-15H2,(H,26,29)
InChIKeyWQVCTQFONPCJLZ-UHFFFAOYSA-N
XLogP5.26
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.91
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-4-(9H-fluoren-9-yl)piperazine-1-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-4-(9H-fluoren-9-yl)piperazine-1-carboxamide (CID 2814681) is N-(3-chlorophenyl)-4-(9H-fluoren-9-yl)piperazine-1-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-4-(9H-fluoren-9-yl)piperazine-1-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-4-(9H-fluoren-9-yl)piperazine-1-carboxamide is O=C(Nc1cccc(Cl)c1)N1CCN(C2c3ccccc3-c3ccccc32)CC1.
What is the InChIKey of N-(3-chlorophenyl)-4-(9H-fluoren-9-yl)piperazine-1-carboxamide?
The InChIKey is WQVCTQFONPCJLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClN3O/c25-17-6-5-7-18(16-17)26-24(29)28-14-12-27(13-15-28)23-21-10-3-1-8-19(21)20-9-2-4-11-22(20)23/h1-11,16,23H,12-15H2,(H,26,29).
What are the key properties of N-(3-chlorophenyl)-4-(9H-fluoren-9-yl)piperazine-1-carboxamide?
N-(3-chlorophenyl)-4-(9H-fluoren-9-yl)piperazine-1-carboxamide has a molecular weight of 403.91 g/mol, XLogP of 5.26, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-4-(9H-fluoren-9-yl)piperazine-1-carboxamide is sourced from PubChem (CID 2814681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).