(E)-3-[10-[(E)-3-oxo-3-piperidin-1-ylprop-1-enyl]anthracen-9-yl]-1-piperidin-1-ylprop-2-en-1-one

C30H32N2O2 — CID 54754331

IUPAC(E)-3-[10-[(E)-3-oxo-3-piperidin-1-ylprop-1-enyl]anthracen-9-yl]-1-piperidin-1-ylprop-2-en-1-one
SMILESO=C(/C=C/c1c2ccccc2c(/C=C/C(=O)N2CCCCC2)c2ccccc12)N1CCCCC1
InChIInChI=1S/C30H32N2O2/c33-29(31-19-7-1-8-20-31)17-15-27-23-11-3-5-13-25(23)28(26-14-6-4-12-24(26)27)16-18-30(34)32-21-9-2-10-22-32/h3-6,11-18H,1-2,7-10,19-22H2/b17-15+,18-16+
InChIKeyMNUWDMIRVDRQBC-YTEMWHBBSA-N
MW452.60 g/mol
LogP6.04
Rot. Bonds4

About (E)-3-[10-[(E)-3-oxo-3-piperidin-1-ylprop-1-enyl]anthracen-9-yl]-1-piperidin-1-ylprop-2-en-1-one

(E)-3-[10-[(E)-3-oxo-3-piperidin-1-ylprop-1-enyl]anthracen-9-yl]-1-piperidin-1-ylprop-2-en-1-one (PubChem CID 54754331) has the molecular formula C30H32N2O2 and a molecular weight of 452.60 g/mol. Its IUPAC name is (E)-3-[10-[(E)-3-oxo-3-piperidin-1-ylprop-1-enyl]anthracen-9-yl]-1-piperidin-1-ylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-[10-[(E)-3-oxo-3-piperidin-1-ylprop-1-enyl]anthracen-9-yl]-1-piperidin-1-ylprop-2-en-1-one
PubChem CID54754331
Molecular FormulaC30H32N2O2
Molecular Weight452.60 g/mol
Exact Mass452.25
IUPAC Name(E)-3-[10-[(E)-3-oxo-3-piperidin-1-ylprop-1-enyl]anthracen-9-yl]-1-piperidin-1-ylprop-2-en-1-one
SMILESO=C(/C=C/c1c2ccccc2c(/C=C/C(=O)N2CCCCC2)c2ccccc12)N1CCCCC1
InChIInChI=1S/C30H32N2O2/c33-29(31-19-7-1-8-20-31)17-15-27-23-11-3-5-13-25(23)28(26-14-6-4-12-24(26)27)16-18-30(34)32-21-9-2-10-22-32/h3-6,11-18H,1-2,7-10,19-22H2/b17-15+,18-16+
InChIKeyMNUWDMIRVDRQBC-YTEMWHBBSA-N
XLogP6.04
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.60
LogP ≤ 56.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze (E)-3-[10-[(E)-3-oxo-3-piperidin-1-ylprop-1-enyl]anthracen-9-yl]-1-piperidin-1-ylprop-2-en-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-phenyl-1-piperidin-1-ylpenta-2,4-dien-1-one
CID 2798165
1-(azepan-1-yl)-3-(2-methoxyphenyl)prop-2-en-1-one
CID 4506724
2-[(E)-3-oxo-3-piperidin-1-ylprop-1-enyl]benzonitrile
CID 47130966
(E)-1-[4-(azepane-1-carbonyl)piperidin-1-yl]-3-naphthalen-1-ylprop-2-en-1-one
CID 46409969
(Z)-3-(4-fluorophenyl)-1-piperidin-1-ylprop-2-en-1-one
CID 2162232
3-(2-chloro-6-fluorophenyl)-1-[4-[3-(2-chloro-6-fluorophenyl)prop-2-enoyl]piperazin-1-yl]prop-2-en-1-one
CID 3433981
(E)-3-naphthalen-1-yl-1-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]prop-2-en-1-one
CID 39487682
1-[3-(2,6-difluorophenyl)prop-2-enoyl]piperidine-3-carboxylic acid
CID 126784688
(E)-3-(2,6-dichlorophenyl)-1-(4-methyl-1,4-diazepan-1-yl)prop-2-en-1-one
CID 17164954
3-(2-methoxyphenyl)-1-pyrrolidin-1-ylprop-2-en-1-one
CID 2929140
(Z)-1-(azepan-1-yl)-3-(5-bromothiophen-2-yl)prop-2-en-1-one
CID 97305758
4-(3-oxo-3-piperidin-1-ylprop-1-enyl)benzamide
CID 77047625

Frequently Asked Questions

What is the IUPAC name of (E)-3-[10-[(E)-3-oxo-3-piperidin-1-ylprop-1-enyl]anthracen-9-yl]-1-piperidin-1-ylprop-2-en-1-one?
The IUPAC name of (E)-3-[10-[(E)-3-oxo-3-piperidin-1-ylprop-1-enyl]anthracen-9-yl]-1-piperidin-1-ylprop-2-en-1-one (CID 54754331) is (E)-3-[10-[(E)-3-oxo-3-piperidin-1-ylprop-1-enyl]anthracen-9-yl]-1-piperidin-1-ylprop-2-en-1-one.
What is the SMILES notation for (E)-3-[10-[(E)-3-oxo-3-piperidin-1-ylprop-1-enyl]anthracen-9-yl]-1-piperidin-1-ylprop-2-en-1-one?
The canonical SMILES for (E)-3-[10-[(E)-3-oxo-3-piperidin-1-ylprop-1-enyl]anthracen-9-yl]-1-piperidin-1-ylprop-2-en-1-one is O=C(/C=C/c1c2ccccc2c(/C=C/C(=O)N2CCCCC2)c2ccccc12)N1CCCCC1.
What is the InChIKey of (E)-3-[10-[(E)-3-oxo-3-piperidin-1-ylprop-1-enyl]anthracen-9-yl]-1-piperidin-1-ylprop-2-en-1-one?
The InChIKey is MNUWDMIRVDRQBC-YTEMWHBBSA-N. The full InChI is InChI=1S/C30H32N2O2/c33-29(31-19-7-1-8-20-31)17-15-27-23-11-3-5-13-25(23)28(26-14-6-4-12-24(26)27)16-18-30(34)32-21-9-2-10-22-32/h3-6,11-18H,1-2,7-10,19-22H2/b17-15+,18-16+.
What are the key properties of (E)-3-[10-[(E)-3-oxo-3-piperidin-1-ylprop-1-enyl]anthracen-9-yl]-1-piperidin-1-ylprop-2-en-1-one?
(E)-3-[10-[(E)-3-oxo-3-piperidin-1-ylprop-1-enyl]anthracen-9-yl]-1-piperidin-1-ylprop-2-en-1-one has a molecular weight of 452.60 g/mol, XLogP of 6.04, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[10-[(E)-3-oxo-3-piperidin-1-ylprop-1-enyl]anthracen-9-yl]-1-piperidin-1-ylprop-2-en-1-one is sourced from PubChem (CID 54754331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).