1-[5-(4-cyclopentylpiperazine-1-carbonyl)-1H-indol-2-yl]-2-imino-3-methylpentan-1-one

C24H32N4O2 — CID 174565322

IUPAC1-[5-(4-cyclopentylpiperazine-1-carbonyl)-1H-indol-2-yl]-2-imino-3-methylpentan-1-one
SMILES[H]/N=C(/C(=O)c1cc2cc(C(=O)N3CCN(C4CCCC4)CC3)ccc2[nH]1)C(C)CC
InChIInChI=1S/C24H32N4O2/c1-3-16(2)22(25)23(29)21-15-18-14-17(8-9-20(18)26-21)24(30)28-12-10-27(11-13-28)19-6-4-5-7-19/h8-9,14-16,19,25-26H,3-7,10-13H2,1-2H3/b25-22+
InChIKeyPFPCYBPPLQNLQA-YYDJUVGSSA-N
MW408.55 g/mol
LogP4.12
Rot. Bonds6

About 1-[5-(4-cyclopentylpiperazine-1-carbonyl)-1H-indol-2-yl]-2-imino-3-methylpentan-1-one

1-[5-(4-cyclopentylpiperazine-1-carbonyl)-1H-indol-2-yl]-2-imino-3-methylpentan-1-one (PubChem CID 174565322) has the molecular formula C24H32N4O2 and a molecular weight of 408.55 g/mol. Its IUPAC name is 1-[5-(4-cyclopentylpiperazine-1-carbonyl)-1H-indol-2-yl]-2-imino-3-methylpentan-1-one.

Molecular Properties

Compound Name1-[5-(4-cyclopentylpiperazine-1-carbonyl)-1H-indol-2-yl]-2-imino-3-methylpentan-1-one
PubChem CID174565322
Molecular FormulaC24H32N4O2
Molecular Weight408.55 g/mol
Exact Mass408.25
IUPAC Name1-[5-(4-cyclopentylpiperazine-1-carbonyl)-1H-indol-2-yl]-2-imino-3-methylpentan-1-one
SMILES[H]/N=C(/C(=O)c1cc2cc(C(=O)N3CCN(C4CCCC4)CC3)ccc2[nH]1)C(C)CC
InChIInChI=1S/C24H32N4O2/c1-3-16(2)22(25)23(29)21-15-18-14-17(8-9-20(18)26-21)24(30)28-12-10-27(11-13-28)19-6-4-5-7-19/h8-9,14-16,19,25-26H,3-7,10-13H2,1-2H3/b25-22+
InChIKeyPFPCYBPPLQNLQA-YYDJUVGSSA-N
XLogP4.12
TPSA80.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.55
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-cyclopentylpiperazine-1-carbonyl)-1H-indol-2-yl]-2-imino-3-methylpentan-1-one?
The IUPAC name of 1-[5-(4-cyclopentylpiperazine-1-carbonyl)-1H-indol-2-yl]-2-imino-3-methylpentan-1-one (CID 174565322) is 1-[5-(4-cyclopentylpiperazine-1-carbonyl)-1H-indol-2-yl]-2-imino-3-methylpentan-1-one.
What is the SMILES notation for 1-[5-(4-cyclopentylpiperazine-1-carbonyl)-1H-indol-2-yl]-2-imino-3-methylpentan-1-one?
The canonical SMILES for 1-[5-(4-cyclopentylpiperazine-1-carbonyl)-1H-indol-2-yl]-2-imino-3-methylpentan-1-one is [H]/N=C(/C(=O)c1cc2cc(C(=O)N3CCN(C4CCCC4)CC3)ccc2[nH]1)C(C)CC.
What is the InChIKey of 1-[5-(4-cyclopentylpiperazine-1-carbonyl)-1H-indol-2-yl]-2-imino-3-methylpentan-1-one?
The InChIKey is PFPCYBPPLQNLQA-YYDJUVGSSA-N. The full InChI is InChI=1S/C24H32N4O2/c1-3-16(2)22(25)23(29)21-15-18-14-17(8-9-20(18)26-21)24(30)28-12-10-27(11-13-28)19-6-4-5-7-19/h8-9,14-16,19,25-26H,3-7,10-13H2,1-2H3/b25-22+.
What are the key properties of 1-[5-(4-cyclopentylpiperazine-1-carbonyl)-1H-indol-2-yl]-2-imino-3-methylpentan-1-one?
1-[5-(4-cyclopentylpiperazine-1-carbonyl)-1H-indol-2-yl]-2-imino-3-methylpentan-1-one has a molecular weight of 408.55 g/mol, XLogP of 4.12, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-cyclopentylpiperazine-1-carbonyl)-1H-indol-2-yl]-2-imino-3-methylpentan-1-one is sourced from PubChem (CID 174565322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).