1-[1-(anthracene-9-carbonyl)piperidin-4-yl]-N-ethyl-N-phenylpiperidine-3-carboxamide

C34H37N3O2 — CID 87953121

IUPAC1-[1-(anthracene-9-carbonyl)piperidin-4-yl]-N-ethyl-N-phenylpiperidine-3-carboxamide
SMILESCCN(C(=O)C1CCCN(C2CCN(C(=O)c3c4ccccc4cc4ccccc34)CC2)C1)c1ccccc1
InChIInChI=1S/C34H37N3O2/c1-2-37(29-14-4-3-5-15-29)33(38)27-13-10-20-36(24-27)28-18-21-35(22-19-28)34(39)32-30-16-8-6-11-25(30)23-26-12-7-9-17-31(26)32/h3-9,11-12,14-17,23,27-28H,2,10,13,18-22,24H2,1H3
InChIKeyQGQFXBWOIVXCEA-UHFFFAOYSA-N
MW519.69 g/mol
LogP6.36
Rot. Bonds5

About 1-[1-(anthracene-9-carbonyl)piperidin-4-yl]-N-ethyl-N-phenylpiperidine-3-carboxamide

1-[1-(anthracene-9-carbonyl)piperidin-4-yl]-N-ethyl-N-phenylpiperidine-3-carboxamide (PubChem CID 87953121) has the molecular formula C34H37N3O2 and a molecular weight of 519.69 g/mol. Its IUPAC name is 1-[1-(anthracene-9-carbonyl)piperidin-4-yl]-N-ethyl-N-phenylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[1-(anthracene-9-carbonyl)piperidin-4-yl]-N-ethyl-N-phenylpiperidine-3-carboxamide
PubChem CID87953121
Molecular FormulaC34H37N3O2
Molecular Weight519.69 g/mol
Exact Mass519.29
IUPAC Name1-[1-(anthracene-9-carbonyl)piperidin-4-yl]-N-ethyl-N-phenylpiperidine-3-carboxamide
SMILESCCN(C(=O)C1CCCN(C2CCN(C(=O)c3c4ccccc4cc4ccccc34)CC2)C1)c1ccccc1
InChIInChI=1S/C34H37N3O2/c1-2-37(29-14-4-3-5-15-29)33(38)27-13-10-20-36(24-27)28-18-21-35(22-19-28)34(39)32-30-16-8-6-11-25(30)23-26-12-7-9-17-31(26)32/h3-9,11-12,14-17,23,27-28H,2,10,13,18-22,24H2,1H3
InChIKeyQGQFXBWOIVXCEA-UHFFFAOYSA-N
XLogP6.36
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.69
LogP ≤ 56.36
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

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CID 62555
C.I. Pigment Red 178
CID 62476
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N-(4-{4-[benzyl(phenyl)amino]piperidin-1-yl}butylnaphthalen-2-carboxamide
CID 24873453
N-[4-[4-(2-methylphenyl)piperazin-1-yl]butyl]naphthalene-2-carboxamide
CID 127026123
N-[4-(4-propanoylpiperazin-1-yl)phenyl]naphthalene-2-carboxamide
CID 1091582
N-[4-(4-methylpiperazin-1-yl)phenyl]naphthalene-2-carboxamide
CID 925699
2-Naphthalenyl-(4-phenyl-1-piperazinyl)methanone
CID 787692
[4-(4-Anilino-1-piperidyl)-4-methyl-1-piperidyl]-(2,6-dimethylphenyl)methanone
CID 3008907
(4-(4-(Benzyl(phenyl)amino)piperidin-1-yl)-4-methylpiperidin-1-yl)(2,6-dimethylphenyl)methanone
CID 3008913
(2,6-dimethylphenyl)-[4-[4-(N-phenylanilino)-1-piperidyl]-1-piperidyl]methanone
CID 3008934

Frequently Asked Questions

What is the IUPAC name of 1-[1-(anthracene-9-carbonyl)piperidin-4-yl]-N-ethyl-N-phenylpiperidine-3-carboxamide?
The IUPAC name of 1-[1-(anthracene-9-carbonyl)piperidin-4-yl]-N-ethyl-N-phenylpiperidine-3-carboxamide (CID 87953121) is 1-[1-(anthracene-9-carbonyl)piperidin-4-yl]-N-ethyl-N-phenylpiperidine-3-carboxamide.
What is the SMILES notation for 1-[1-(anthracene-9-carbonyl)piperidin-4-yl]-N-ethyl-N-phenylpiperidine-3-carboxamide?
The canonical SMILES for 1-[1-(anthracene-9-carbonyl)piperidin-4-yl]-N-ethyl-N-phenylpiperidine-3-carboxamide is CCN(C(=O)C1CCCN(C2CCN(C(=O)c3c4ccccc4cc4ccccc34)CC2)C1)c1ccccc1.
What is the InChIKey of 1-[1-(anthracene-9-carbonyl)piperidin-4-yl]-N-ethyl-N-phenylpiperidine-3-carboxamide?
The InChIKey is QGQFXBWOIVXCEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H37N3O2/c1-2-37(29-14-4-3-5-15-29)33(38)27-13-10-20-36(24-27)28-18-21-35(22-19-28)34(39)32-30-16-8-6-11-25(30)23-26-12-7-9-17-31(26)32/h3-9,11-12,14-17,23,27-28H,2,10,13,18-22,24H2,1H3.
What are the key properties of 1-[1-(anthracene-9-carbonyl)piperidin-4-yl]-N-ethyl-N-phenylpiperidine-3-carboxamide?
1-[1-(anthracene-9-carbonyl)piperidin-4-yl]-N-ethyl-N-phenylpiperidine-3-carboxamide has a molecular weight of 519.69 g/mol, XLogP of 6.36, 5 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]-N-ethyl-N-phenylpiperidine-3-carboxamide is sourced from PubChem (CID 87953121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).