[1-(4-imino-5-phenylpentan-2-yl)indol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone

C27H34N4O — CID 174568018

IUPAC[1-(4-imino-5-phenylpentan-2-yl)indol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
SMILES[H]/N=C(\Cc1ccccc1)CC(C)n1ccc2cc(C(=O)N3CCN(C(C)C)CC3)ccc21
InChIInChI=1S/C27H34N4O/c1-20(2)29-13-15-30(16-14-29)27(32)24-9-10-26-23(19-24)11-12-31(26)21(3)17-25(28)18-22-7-5-4-6-8-22/h4-12,19-21,28H,13-18H2,1-3H3/b28-25-
InChIKeyMZQLPRRSNRJTSS-FVDSYPCUSA-N
MW430.60 g/mol
LogP5.02
Rot. Bonds7

About [1-(4-imino-5-phenylpentan-2-yl)indol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone

[1-(4-imino-5-phenylpentan-2-yl)indol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone (PubChem CID 174568018) has the molecular formula C27H34N4O and a molecular weight of 430.60 g/mol. Its IUPAC name is [1-(4-imino-5-phenylpentan-2-yl)indol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[1-(4-imino-5-phenylpentan-2-yl)indol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
PubChem CID174568018
Molecular FormulaC27H34N4O
Molecular Weight430.60 g/mol
Exact Mass430.27
IUPAC Name[1-(4-imino-5-phenylpentan-2-yl)indol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
SMILES[H]/N=C(\Cc1ccccc1)CC(C)n1ccc2cc(C(=O)N3CCN(C(C)C)CC3)ccc21
InChIInChI=1S/C27H34N4O/c1-20(2)29-13-15-30(16-14-29)27(32)24-9-10-26-23(19-24)11-12-31(26)21(3)17-25(28)18-22-7-5-4-6-8-22/h4-12,19-21,28H,13-18H2,1-3H3/b28-25-
InChIKeyMZQLPRRSNRJTSS-FVDSYPCUSA-N
XLogP5.02
TPSA52.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.60
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

3-(1,1-dioxo-1,4-thiazinan-4-yl)-3-oxo-2-[5-(4-propan-2-ylpiperazine-1-carbonyl)indol-1-yl]propanenitrile
CID 69015873
(4-methylsulfonylpiperazin-1-yl)-(1-propan-2-ylindol-5-yl)methanone
CID 71702232
1,3-benzodioxol-5-yl-(4-propan-2-ylpiperazin-1-yl)methanone
CID 37299966
4-[1-propan-2-yl-5-(4-propan-2-ylpiperazine-1-carbonyl)indole-2-carbonyl]piperazine-1-carboxylic acid
CID 141212145
[3-(aminomethyl)phenyl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 43584943
(2,2-diphenyl-1,3-benzodioxol-5-yl)-(4-propan-2-ylpiperazin-1-yl)methanone
CID 10455267
[1-(1-benzylpyrrolidin-3-yl)indol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone;1H-indol-5-yl-(4-propan-2-ylpiperazin-1-yl)methanone
CID 68625032
(4-propan-2-ylpiperazin-1-yl)-[1-(1-propylpiperidin-4-yl)indol-5-yl]methanone
CID 68621990
[3-(2-aminoethyl)phenyl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 62591369
[4-(anilinomethyl)phenyl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 10476655
N-benzyl-2-methoxy-N-methyl-5-(4-propan-2-ylpiperazine-1-carbonyl)benzenesulfonamide
CID 55589275
[4-(4-propan-2-ylpiperazine-1-carbonyl)phenyl] 2-naphthalen-1-ylacetate
CID 15704049

Frequently Asked Questions

What is the IUPAC name of [1-(4-imino-5-phenylpentan-2-yl)indol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone?
The IUPAC name of [1-(4-imino-5-phenylpentan-2-yl)indol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone (CID 174568018) is [1-(4-imino-5-phenylpentan-2-yl)indol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [1-(4-imino-5-phenylpentan-2-yl)indol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for [1-(4-imino-5-phenylpentan-2-yl)indol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone is [H]/N=C(\Cc1ccccc1)CC(C)n1ccc2cc(C(=O)N3CCN(C(C)C)CC3)ccc21.
What is the InChIKey of [1-(4-imino-5-phenylpentan-2-yl)indol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone?
The InChIKey is MZQLPRRSNRJTSS-FVDSYPCUSA-N. The full InChI is InChI=1S/C27H34N4O/c1-20(2)29-13-15-30(16-14-29)27(32)24-9-10-26-23(19-24)11-12-31(26)21(3)17-25(28)18-22-7-5-4-6-8-22/h4-12,19-21,28H,13-18H2,1-3H3/b28-25-.
What are the key properties of [1-(4-imino-5-phenylpentan-2-yl)indol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone?
[1-(4-imino-5-phenylpentan-2-yl)indol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone has a molecular weight of 430.60 g/mol, XLogP of 5.02, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-imino-5-phenylpentan-2-yl)indol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 174568018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).