anthracen-9-yl-(4-piperidin-1-ylpiperidin-1-yl)methanone;N,N-diethylformamide

C30H39N3O2 — CID 143762942

IUPACanthracen-9-yl-(4-piperidin-1-ylpiperidin-1-yl)methanone;N,N-diethylformamide
SMILESCCN(C=O)CC.O=C(c1c2ccccc2cc2ccccc12)N1CCC(N2CCCCC2)CC1
InChIInChI=1S/C25H28N2O.C5H11NO/c28-25(27-16-12-21(13-17-27)26-14-6-1-7-15-26)24-22-10-4-2-8-19(22)18-20-9-3-5-11-23(20)24;1-3-6(4-2)5-7/h2-5,8-11,18,21H,1,6-7,12-17H2;5H,3-4H2,1-2H3
InChIKeySSJNRMIMVHBGCG-UHFFFAOYSA-N
MW473.66 g/mol
LogP5.57
Rot. Bonds5

About anthracen-9-yl-(4-piperidin-1-ylpiperidin-1-yl)methanone;N,N-diethylformamide

anthracen-9-yl-(4-piperidin-1-ylpiperidin-1-yl)methanone;N,N-diethylformamide (PubChem CID 143762942) has the molecular formula C30H39N3O2 and a molecular weight of 473.66 g/mol. Its IUPAC name is anthracen-9-yl-(4-piperidin-1-ylpiperidin-1-yl)methanone;N,N-diethylformamide.

Molecular Properties

Compound Nameanthracen-9-yl-(4-piperidin-1-ylpiperidin-1-yl)methanone;N,N-diethylformamide
PubChem CID143762942
Molecular FormulaC30H39N3O2
Molecular Weight473.66 g/mol
Exact Mass473.30
IUPAC Nameanthracen-9-yl-(4-piperidin-1-ylpiperidin-1-yl)methanone;N,N-diethylformamide
SMILESCCN(C=O)CC.O=C(c1c2ccccc2cc2ccccc12)N1CCC(N2CCCCC2)CC1
InChIInChI=1S/C25H28N2O.C5H11NO/c28-25(27-16-12-21(13-17-27)26-14-6-1-7-15-26)24-22-10-4-2-8-19(22)18-20-9-3-5-11-23(20)24;1-3-6(4-2)5-7/h2-5,8-11,18,21H,1,6-7,12-17H2;5H,3-4H2,1-2H3
InChIKeySSJNRMIMVHBGCG-UHFFFAOYSA-N
XLogP5.57
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.66
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3S)-1-[1-(anthracene-9-carbonyl)piperidin-4-yl]-N,N-diethylpiperidine-3-carboxamide
CID 25124946
1-[1-(anthracene-9-carbonyl)piperidin-4-yl]-N-ethyl-N-phenylpiperidine-3-carboxamide
CID 87953121
[4-[4-(anthracene-9-carbonyl)piperazin-1-yl]piperidin-1-yl]-cyclohexylmethanone
CID 46880209
[1-[1-(anthracene-9-carbonyl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 22263076
8-[1-(anthracene-9-carbonyl)piperidin-4-yl]-2-ethyl-2,8-diazaspiro[5.5]undecan-1-one
CID 57400701
(3R)-1-[1-(anthracene-9-carbonyl)piperidin-4-yl]-N-cyclobutylpiperidine-3-carboxamide
CID 10174028
1-[1-(anthracene-9-carbonyl)piperidin-4-yl]-N-(2-cyanoethyl)-N-cyclopropylpiperidine-3-carboxamide
CID 91164144
[1-[1-(anthracene-9-carbonyl)piperidin-4-yl]piperidin-3-yl]-(3,6-dihydro-2H-pyridin-1-yl)methanone
CID 22263182
[(3R)-1-[1-(anthracene-9-carbonyl)piperidin-4-yl]piperidin-3-yl]-(2-ethylpiperazin-1-yl)methanone
CID 23589178
9-[1-(anthracene-9-carbonyl)piperidin-4-yl]-2-methyl-1,3,9-triazaspiro[4.5]decan-4-one
CID 59373281
9-[1-(anthracene-9-carbonyl)piperidin-4-yl]-2-methyl-1,3,9-triazaspiro[4.5]dec-1-en-4-one
CID 59373502
7-[1-(anthracene-9-carbonyl)piperidin-4-yl]-4-oxo-7-azaspiro[4.5]decane-3-carbonitrile
CID 59373621

Frequently Asked Questions

What is the IUPAC name of anthracen-9-yl-(4-piperidin-1-ylpiperidin-1-yl)methanone;N,N-diethylformamide?
The IUPAC name of anthracen-9-yl-(4-piperidin-1-ylpiperidin-1-yl)methanone;N,N-diethylformamide (CID 143762942) is anthracen-9-yl-(4-piperidin-1-ylpiperidin-1-yl)methanone;N,N-diethylformamide.
What is the SMILES notation for anthracen-9-yl-(4-piperidin-1-ylpiperidin-1-yl)methanone;N,N-diethylformamide?
The canonical SMILES for anthracen-9-yl-(4-piperidin-1-ylpiperidin-1-yl)methanone;N,N-diethylformamide is CCN(C=O)CC.O=C(c1c2ccccc2cc2ccccc12)N1CCC(N2CCCCC2)CC1.
What is the InChIKey of anthracen-9-yl-(4-piperidin-1-ylpiperidin-1-yl)methanone;N,N-diethylformamide?
The InChIKey is SSJNRMIMVHBGCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O.C5H11NO/c28-25(27-16-12-21(13-17-27)26-14-6-1-7-15-26)24-22-10-4-2-8-19(22)18-20-9-3-5-11-23(20)24;1-3-6(4-2)5-7/h2-5,8-11,18,21H,1,6-7,12-17H2;5H,3-4H2,1-2H3.
What are the key properties of anthracen-9-yl-(4-piperidin-1-ylpiperidin-1-yl)methanone;N,N-diethylformamide?
anthracen-9-yl-(4-piperidin-1-ylpiperidin-1-yl)methanone;N,N-diethylformamide has a molecular weight of 473.66 g/mol, XLogP of 5.57, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for anthracen-9-yl-(4-piperidin-1-ylpiperidin-1-yl)methanone;N,N-diethylformamide is sourced from PubChem (CID 143762942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).