3-pyrrolidin-1-yl-1-[10-(3-pyrrolidin-1-ylpropanoyl)anthracen-9-yl]propan-1-one

C28H32N2O2 — CID 139708502

IUPAC3-pyrrolidin-1-yl-1-[10-(3-pyrrolidin-1-ylpropanoyl)anthracen-9-yl]propan-1-one
SMILESO=C(CCN1CCCC1)c1c2ccccc2c(C(=O)CCN2CCCC2)c2ccccc12
InChIInChI=1S/C28H32N2O2/c31-25(13-19-29-15-5-6-16-29)27-21-9-1-2-10-22(21)28(24-12-4-3-11-23(24)27)26(32)14-20-30-17-7-8-18-30/h1-4,9-12H,5-8,13-20H2
InChIKeyFPMLIGJZUQMZCN-UHFFFAOYSA-N
MW428.58 g/mol
LogP5.33
Rot. Bonds8

About 3-pyrrolidin-1-yl-1-[10-(3-pyrrolidin-1-ylpropanoyl)anthracen-9-yl]propan-1-one

3-pyrrolidin-1-yl-1-[10-(3-pyrrolidin-1-ylpropanoyl)anthracen-9-yl]propan-1-one (PubChem CID 139708502) has the molecular formula C28H32N2O2 and a molecular weight of 428.58 g/mol. Its IUPAC name is 3-pyrrolidin-1-yl-1-[10-(3-pyrrolidin-1-ylpropanoyl)anthracen-9-yl]propan-1-one.

Molecular Properties

Compound Name3-pyrrolidin-1-yl-1-[10-(3-pyrrolidin-1-ylpropanoyl)anthracen-9-yl]propan-1-one
PubChem CID139708502
Molecular FormulaC28H32N2O2
Molecular Weight428.58 g/mol
Exact Mass428.25
IUPAC Name3-pyrrolidin-1-yl-1-[10-(3-pyrrolidin-1-ylpropanoyl)anthracen-9-yl]propan-1-one
SMILESO=C(CCN1CCCC1)c1c2ccccc2c(C(=O)CCN2CCCC2)c2ccccc12
InChIInChI=1S/C28H32N2O2/c31-25(13-19-29-15-5-6-16-29)27-21-9-1-2-10-22(21)28(24-12-4-3-11-23(24)27)26(32)14-20-30-17-7-8-18-30/h1-4,9-12H,5-8,13-20H2
InChIKeyFPMLIGJZUQMZCN-UHFFFAOYSA-N
XLogP5.33
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.58
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2-methylnaphthalen-1-yl)-3-pyrrolidin-1-ylpropan-1-one
CID 82052523
1-(2-methoxynaphthalen-1-yl)-3-pyrrolidin-1-ylpropan-1-one
CID 82050990
1-(2,6-difluorophenyl)-3-piperidin-1-ylpropan-1-one
CID 58514169
1-(4-methylnaphthalen-1-yl)-3-pyrrolidin-1-ylpropan-1-one
CID 82050959
1-(2-ethyl-1-benzofuran-3-yl)-3-piperidin-1-ylpropan-1-one;hydrochloride
CID 6603145
1-(1-methylindol-3-yl)-3-pyrrolidin-1-ylpropan-1-one;hydrochloride
CID 21270044
3-(azepan-1-yl)-1-[4-[3-(azepan-1-yl)propanoyl]phenyl]propan-1-one;dihydrochloride
CID 52997576
1-(furan-2-yl)-3-pyrrolidin-1-ylpropan-1-one
CID 170859218
1-(2-hydroxynaphthalen-1-yl)-3-piperazin-1-ylpropan-1-one
CID 82263022
1-(4-phenoxyphenyl)-3-piperidin-1-ylpropan-1-one
CID 82051060
oxalic acid;1-pyridin-2-yl-3-pyrrolidin-1-ylpropan-1-one
CID 71442189
1-naphthalen-1-yl-6-piperidin-1-ylhexan-1-one
CID 54160942

Frequently Asked Questions

What is the IUPAC name of 3-pyrrolidin-1-yl-1-[10-(3-pyrrolidin-1-ylpropanoyl)anthracen-9-yl]propan-1-one?
The IUPAC name of 3-pyrrolidin-1-yl-1-[10-(3-pyrrolidin-1-ylpropanoyl)anthracen-9-yl]propan-1-one (CID 139708502) is 3-pyrrolidin-1-yl-1-[10-(3-pyrrolidin-1-ylpropanoyl)anthracen-9-yl]propan-1-one.
What is the SMILES notation for 3-pyrrolidin-1-yl-1-[10-(3-pyrrolidin-1-ylpropanoyl)anthracen-9-yl]propan-1-one?
The canonical SMILES for 3-pyrrolidin-1-yl-1-[10-(3-pyrrolidin-1-ylpropanoyl)anthracen-9-yl]propan-1-one is O=C(CCN1CCCC1)c1c2ccccc2c(C(=O)CCN2CCCC2)c2ccccc12.
What is the InChIKey of 3-pyrrolidin-1-yl-1-[10-(3-pyrrolidin-1-ylpropanoyl)anthracen-9-yl]propan-1-one?
The InChIKey is FPMLIGJZUQMZCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N2O2/c31-25(13-19-29-15-5-6-16-29)27-21-9-1-2-10-22(21)28(24-12-4-3-11-23(24)27)26(32)14-20-30-17-7-8-18-30/h1-4,9-12H,5-8,13-20H2.
What are the key properties of 3-pyrrolidin-1-yl-1-[10-(3-pyrrolidin-1-ylpropanoyl)anthracen-9-yl]propan-1-one?
3-pyrrolidin-1-yl-1-[10-(3-pyrrolidin-1-ylpropanoyl)anthracen-9-yl]propan-1-one has a molecular weight of 428.58 g/mol, XLogP of 5.33, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrrolidin-1-yl-1-[10-(3-pyrrolidin-1-ylpropanoyl)anthracen-9-yl]propan-1-one is sourced from PubChem (CID 139708502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).