(3Z)-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-3-(1,3,3-trimethylindol-2-ylidene)propan-2-one

C24H34N4O3 — CID 55498674

IUPAC(3Z)-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-3-(1,3,3-trimethylindol-2-ylidene)propan-2-one
SMILESCN1/C(=C\C(=O)CN2CCN(C(=O)CN3CCOCC3)CC2)C(C)(C)c2ccccc21
InChIInChI=1S/C24H34N4O3/c1-24(2)20-6-4-5-7-21(20)25(3)22(24)16-19(29)17-26-8-10-28(11-9-26)23(30)18-27-12-14-31-15-13-27/h4-7,16H,8-15,17-18H2,1-3H3/b22-16-
InChIKeyGOTHNDKYKQVORP-JWGURIENSA-N
MW426.56 g/mol
LogP1.34
Rot. Bonds5

About (3Z)-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-3-(1,3,3-trimethylindol-2-ylidene)propan-2-one

(3Z)-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-3-(1,3,3-trimethylindol-2-ylidene)propan-2-one (PubChem CID 55498674) has the molecular formula C24H34N4O3 and a molecular weight of 426.56 g/mol. Its IUPAC name is (3Z)-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-3-(1,3,3-trimethylindol-2-ylidene)propan-2-one.

Molecular Properties

Compound Name(3Z)-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-3-(1,3,3-trimethylindol-2-ylidene)propan-2-one
PubChem CID55498674
Molecular FormulaC24H34N4O3
Molecular Weight426.56 g/mol
Exact Mass426.26
IUPAC Name(3Z)-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-3-(1,3,3-trimethylindol-2-ylidene)propan-2-one
SMILESCN1/C(=C\C(=O)CN2CCN(C(=O)CN3CCOCC3)CC2)C(C)(C)c2ccccc21
InChIInChI=1S/C24H34N4O3/c1-24(2)20-6-4-5-7-21(20)25(3)22(24)16-19(29)17-26-8-10-28(11-9-26)23(30)18-27-12-14-31-15-13-27/h4-7,16H,8-15,17-18H2,1-3H3/b22-16-
InChIKeyGOTHNDKYKQVORP-JWGURIENSA-N
XLogP1.34
TPSA56.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.56
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Launch Full Analysis

Related Compounds

(3Z)-1-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]-3-(1,3,3-trimethylindol-2-ylidene)propan-2-one
CID 56526157
(3Z)-1-[4-(2-phenylethyl)piperazin-1-yl]-3-(1,3,3-trimethylindol-2-ylidene)propan-2-one
CID 34943216
[2-oxo-3-(1,3,3-trimethylindol-2-ylidene)propyl] 3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoate
CID 3628832
(3E)-1-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-3-(1,3,3-trimethylindol-2-ylidene)propan-2-one
CID 18291811
(4E)-3-oxo-4-(1,3,3-trimethylindol-2-ylidene)butanamide
CID 2330522
(3E)-1-[(4-cyclopropyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-3-(1,3,3-trimethylindol-2-ylidene)propan-2-one
CID 16585819
(3E)-1-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]-3-(1,3,3-trimethylindol-2-ylidene)propan-2-one
CID 98630277
ethyl 1-[2-oxo-3-(1,3,3-trimethylindol-2-ylidene)propyl]piperidine-3-carboxylate
CID 2999198
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-morpholin-4-ylethanone
CID 110688048
1-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]ethanone
CID 55494144
[(3Z)-2-oxo-3-(1,3,3-trimethylindol-2-ylidene)propyl] 3-morpholin-4-ylsulfonylbenzoate
CID 2642129
1-(2,4-dichloro-5-morpholin-4-ylsulfonylphenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanone
CID 5067405

Frequently Asked Questions

What is the IUPAC name of (3Z)-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-3-(1,3,3-trimethylindol-2-ylidene)propan-2-one?
The IUPAC name of (3Z)-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-3-(1,3,3-trimethylindol-2-ylidene)propan-2-one (CID 55498674) is (3Z)-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-3-(1,3,3-trimethylindol-2-ylidene)propan-2-one.
What is the SMILES notation for (3Z)-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-3-(1,3,3-trimethylindol-2-ylidene)propan-2-one?
The canonical SMILES for (3Z)-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-3-(1,3,3-trimethylindol-2-ylidene)propan-2-one is CN1/C(=C\C(=O)CN2CCN(C(=O)CN3CCOCC3)CC2)C(C)(C)c2ccccc21.
What is the InChIKey of (3Z)-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-3-(1,3,3-trimethylindol-2-ylidene)propan-2-one?
The InChIKey is GOTHNDKYKQVORP-JWGURIENSA-N. The full InChI is InChI=1S/C24H34N4O3/c1-24(2)20-6-4-5-7-21(20)25(3)22(24)16-19(29)17-26-8-10-28(11-9-26)23(30)18-27-12-14-31-15-13-27/h4-7,16H,8-15,17-18H2,1-3H3/b22-16-.
What are the key properties of (3Z)-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-3-(1,3,3-trimethylindol-2-ylidene)propan-2-one?
(3Z)-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-3-(1,3,3-trimethylindol-2-ylidene)propan-2-one has a molecular weight of 426.56 g/mol, XLogP of 1.34, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-3-(1,3,3-trimethylindol-2-ylidene)propan-2-one is sourced from PubChem (CID 55498674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).