[(3S)-4-(1H-indole-6-carbonyl)-3-methylpiperazin-1-yl]-(4-morpholin-4-ylphenyl)methanone

C25H28N4O3 — CID 46880844

IUPAC[(3S)-4-(1H-indole-6-carbonyl)-3-methylpiperazin-1-yl]-(4-morpholin-4-ylphenyl)methanone
SMILESC[C@H]1CN(C(=O)c2ccc(N3CCOCC3)cc2)CCN1C(=O)c1ccc2cc[nH]c2c1
InChIInChI=1S/C25H28N4O3/c1-18-17-28(24(30)20-4-6-22(7-5-20)27-12-14-32-15-13-27)10-11-29(18)25(31)21-3-2-19-8-9-26-23(19)16-21/h2-9,16,18,26H,10-15,17H2,1H3/t18-/m0/s1
InChIKeyOFKXOYWUQSXFMA-SFHVURJKSA-N
MW432.52 g/mol
LogP2.99
Rot. Bonds3

About [(3S)-4-(1H-indole-6-carbonyl)-3-methylpiperazin-1-yl]-(4-morpholin-4-ylphenyl)methanone

[(3S)-4-(1H-indole-6-carbonyl)-3-methylpiperazin-1-yl]-(4-morpholin-4-ylphenyl)methanone (PubChem CID 46880844) has the molecular formula C25H28N4O3 and a molecular weight of 432.52 g/mol. Its IUPAC name is [(3S)-4-(1H-indole-6-carbonyl)-3-methylpiperazin-1-yl]-(4-morpholin-4-ylphenyl)methanone.

Molecular Properties

Compound Name[(3S)-4-(1H-indole-6-carbonyl)-3-methylpiperazin-1-yl]-(4-morpholin-4-ylphenyl)methanone
PubChem CID46880844
Molecular FormulaC25H28N4O3
Molecular Weight432.52 g/mol
Exact Mass432.22
IUPAC Name[(3S)-4-(1H-indole-6-carbonyl)-3-methylpiperazin-1-yl]-(4-morpholin-4-ylphenyl)methanone
SMILESC[C@H]1CN(C(=O)c2ccc(N3CCOCC3)cc2)CCN1C(=O)c1ccc2cc[nH]c2c1
InChIInChI=1S/C25H28N4O3/c1-18-17-28(24(30)20-4-6-22(7-5-20)27-12-14-32-15-13-27)10-11-29(18)25(31)21-3-2-19-8-9-26-23(19)16-21/h2-9,16,18,26H,10-15,17H2,1H3/t18-/m0/s1
InChIKeyOFKXOYWUQSXFMA-SFHVURJKSA-N
XLogP2.99
TPSA68.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.52
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(3S)-4-(1H-indole-6-carbonyl)-3-methylpiperazin-1-yl]-(4-morpholin-4-ylphenyl)methanone?
The IUPAC name of [(3S)-4-(1H-indole-6-carbonyl)-3-methylpiperazin-1-yl]-(4-morpholin-4-ylphenyl)methanone (CID 46880844) is [(3S)-4-(1H-indole-6-carbonyl)-3-methylpiperazin-1-yl]-(4-morpholin-4-ylphenyl)methanone.
What is the SMILES notation for [(3S)-4-(1H-indole-6-carbonyl)-3-methylpiperazin-1-yl]-(4-morpholin-4-ylphenyl)methanone?
The canonical SMILES for [(3S)-4-(1H-indole-6-carbonyl)-3-methylpiperazin-1-yl]-(4-morpholin-4-ylphenyl)methanone is C[C@H]1CN(C(=O)c2ccc(N3CCOCC3)cc2)CCN1C(=O)c1ccc2cc[nH]c2c1.
What is the InChIKey of [(3S)-4-(1H-indole-6-carbonyl)-3-methylpiperazin-1-yl]-(4-morpholin-4-ylphenyl)methanone?
The InChIKey is OFKXOYWUQSXFMA-SFHVURJKSA-N. The full InChI is InChI=1S/C25H28N4O3/c1-18-17-28(24(30)20-4-6-22(7-5-20)27-12-14-32-15-13-27)10-11-29(18)25(31)21-3-2-19-8-9-26-23(19)16-21/h2-9,16,18,26H,10-15,17H2,1H3/t18-/m0/s1.
What are the key properties of [(3S)-4-(1H-indole-6-carbonyl)-3-methylpiperazin-1-yl]-(4-morpholin-4-ylphenyl)methanone?
[(3S)-4-(1H-indole-6-carbonyl)-3-methylpiperazin-1-yl]-(4-morpholin-4-ylphenyl)methanone has a molecular weight of 432.52 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-4-(1H-indole-6-carbonyl)-3-methylpiperazin-1-yl]-(4-morpholin-4-ylphenyl)methanone is sourced from PubChem (CID 46880844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).