[1-[1-(anthracene-9-carbonyl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone

C30H35N3O2 — CID 22263076

IUPAC[1-[1-(anthracene-9-carbonyl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1c2ccccc2cc2ccccc12)N1CCC(N2CCCC(C(=O)N3CCCC3)C2)CC1
InChIInChI=1S/C30H35N3O2/c34-29(31-15-5-6-16-31)24-10-7-17-33(21-24)25-13-18-32(19-14-25)30(35)28-26-11-3-1-8-22(26)20-23-9-2-4-12-27(23)28/h1-4,8-9,11-12,20,24-25H,5-7,10,13-19,21H2
InChIKeyLDGWVMZHUFZYCC-UHFFFAOYSA-N
MW469.63 g/mol
LogP4.93
Rot. Bonds3

About [1-[1-(anthracene-9-carbonyl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone

[1-[1-(anthracene-9-carbonyl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone (PubChem CID 22263076) has the molecular formula C30H35N3O2 and a molecular weight of 469.63 g/mol. Its IUPAC name is [1-[1-(anthracene-9-carbonyl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[1-[1-(anthracene-9-carbonyl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
PubChem CID22263076
Molecular FormulaC30H35N3O2
Molecular Weight469.63 g/mol
Exact Mass469.27
IUPAC Name[1-[1-(anthracene-9-carbonyl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1c2ccccc2cc2ccccc12)N1CCC(N2CCCC(C(=O)N3CCCC3)C2)CC1
InChIInChI=1S/C30H35N3O2/c34-29(31-15-5-6-16-31)24-10-7-17-33(21-24)25-13-18-32(19-14-25)30(35)28-26-11-3-1-8-22(26)20-23-9-2-4-12-27(23)28/h1-4,8-9,11-12,20,24-25H,5-7,10,13-19,21H2
InChIKeyLDGWVMZHUFZYCC-UHFFFAOYSA-N
XLogP4.93
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.63
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[1-[1-(anthracene-9-carbonyl)piperidin-4-yl]piperidin-3-yl]-(3,6-dihydro-2H-pyridin-1-yl)methanone
CID 22263182
[4-[4-(anthracene-9-carbonyl)piperazin-1-yl]piperidin-1-yl]-cyclohexylmethanone
CID 46880209
(3R)-1-[1-(anthracene-9-carbonyl)piperidin-4-yl]-N-cyclobutylpiperidine-3-carboxamide
CID 10174028
(3S)-1-[1-(anthracene-9-carbonyl)piperidin-4-yl]-N,N-diethylpiperidine-3-carboxamide
CID 25124946
[(3R)-1-[1-(anthracene-9-carbonyl)piperidin-4-yl]piperidin-3-yl]-(2-ethylpiperazin-1-yl)methanone
CID 23589178
1-[1-(anthracene-9-carbonyl)piperidin-4-yl]-N-ethyl-N-phenylpiperidine-3-carboxamide
CID 87953121
1-[1-(anthracene-9-carbonyl)piperidin-4-yl]-N-(2-cyanoethyl)-N-cyclopropylpiperidine-3-carboxamide
CID 91164144
anthracen-9-yl-(4-piperidin-1-ylpiperidin-1-yl)methanone;N,N-diethylformamide
CID 143762942
azepan-1-yl-[1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]piperidin-3-yl]methanone
CID 45244406
[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 3039575
pyrrolidin-1-yl-[1-(1-quinolin-2-ylpiperidin-4-yl)piperidin-3-yl]methanone
CID 56868951
azocan-1-yl-[1-(1-benzylpiperidin-4-yl)piperidin-3-yl]methanone
CID 45192001

Frequently Asked Questions

What is the IUPAC name of [1-[1-(anthracene-9-carbonyl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [1-[1-(anthracene-9-carbonyl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone (CID 22263076) is [1-[1-(anthracene-9-carbonyl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [1-[1-(anthracene-9-carbonyl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [1-[1-(anthracene-9-carbonyl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone is O=C(c1c2ccccc2cc2ccccc12)N1CCC(N2CCCC(C(=O)N3CCCC3)C2)CC1.
What is the InChIKey of [1-[1-(anthracene-9-carbonyl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is LDGWVMZHUFZYCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35N3O2/c34-29(31-15-5-6-16-31)24-10-7-17-33(21-24)25-13-18-32(19-14-25)30(35)28-26-11-3-1-8-22(26)20-23-9-2-4-12-27(23)28/h1-4,8-9,11-12,20,24-25H,5-7,10,13-19,21H2.
What are the key properties of [1-[1-(anthracene-9-carbonyl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone?
[1-[1-(anthracene-9-carbonyl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 469.63 g/mol, XLogP of 4.93, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[1-(anthracene-9-carbonyl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 22263076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).