(3S)-1-[1-(anthracene-9-carbonyl)piperidin-4-yl]-N,N-diethylpiperidine-3-carboxamide

C30H37N3O2 — CID 25124946

IUPAC(3S)-1-[1-(anthracene-9-carbonyl)piperidin-4-yl]-N,N-diethylpiperidine-3-carboxamide
SMILESCCN(CC)C(=O)[C@H]1CCCN(C2CCN(C(=O)c3c4ccccc4cc4ccccc34)CC2)C1
InChIInChI=1S/C30H37N3O2/c1-3-31(4-2)29(34)24-12-9-17-33(21-24)25-15-18-32(19-16-25)30(35)28-26-13-7-5-10-22(26)20-23-11-6-8-14-27(23)28/h5-8,10-11,13-14,20,24-25H,3-4,9,12,15-19,21H2,1-2H3/t24-/m0/s1
InChIKeyTXUIRLUAKARNPD-DEOSSOPVSA-N
MW471.65 g/mol
LogP5.18
Rot. Bonds5

About (3S)-1-[1-(anthracene-9-carbonyl)piperidin-4-yl]-N,N-diethylpiperidine-3-carboxamide

(3S)-1-[1-(anthracene-9-carbonyl)piperidin-4-yl]-N,N-diethylpiperidine-3-carboxamide (PubChem CID 25124946) has the molecular formula C30H37N3O2 and a molecular weight of 471.65 g/mol. Its IUPAC name is (3S)-1-[1-(anthracene-9-carbonyl)piperidin-4-yl]-N,N-diethylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-[1-(anthracene-9-carbonyl)piperidin-4-yl]-N,N-diethylpiperidine-3-carboxamide
PubChem CID25124946
Molecular FormulaC30H37N3O2
Molecular Weight471.65 g/mol
Exact Mass471.29
IUPAC Name(3S)-1-[1-(anthracene-9-carbonyl)piperidin-4-yl]-N,N-diethylpiperidine-3-carboxamide
SMILESCCN(CC)C(=O)[C@H]1CCCN(C2CCN(C(=O)c3c4ccccc4cc4ccccc34)CC2)C1
InChIInChI=1S/C30H37N3O2/c1-3-31(4-2)29(34)24-12-9-17-33(21-24)25-15-18-32(19-16-25)30(35)28-26-13-7-5-10-22(26)20-23-11-6-8-14-27(23)28/h5-8,10-11,13-14,20,24-25H,3-4,9,12,15-19,21H2,1-2H3/t24-/m0/s1
InChIKeyTXUIRLUAKARNPD-DEOSSOPVSA-N
XLogP5.18
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.65
LogP ≤ 55.18
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]-N-ethyl-N-phenylpiperidine-3-carboxamide
CID 87953121
[1-[1-(anthracene-9-carbonyl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 22263076
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
(3R)-1-[1-(anthracene-9-carbonyl)piperidin-4-yl]-N-cyclobutylpiperidine-3-carboxamide
CID 10174028
[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
[4-[4-(anthracene-9-carbonyl)piperazin-1-yl]piperidin-1-yl]-cyclohexylmethanone
CID 46880209
(3S)-N-benzyl-N-ethyl-1-(1-methylpiperidin-4-yl)piperidine-3-carboxamide
CID 28822083
(3R)-N,N-diethyl-1-[1-(2-phenylethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 26458414
(3S)-N,N-diethyl-1-(1-methylpiperidin-4-yl)piperidine-3-carboxamide
CID 7047247
N,N-diethyl-1-(1-methylpiperidin-4-yl)piperidine-3-carboxamide
CID 6456406

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[1-(anthracene-9-carbonyl)piperidin-4-yl]-N,N-diethylpiperidine-3-carboxamide?
The IUPAC name of (3S)-1-[1-(anthracene-9-carbonyl)piperidin-4-yl]-N,N-diethylpiperidine-3-carboxamide (CID 25124946) is (3S)-1-[1-(anthracene-9-carbonyl)piperidin-4-yl]-N,N-diethylpiperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-[1-(anthracene-9-carbonyl)piperidin-4-yl]-N,N-diethylpiperidine-3-carboxamide?
The canonical SMILES for (3S)-1-[1-(anthracene-9-carbonyl)piperidin-4-yl]-N,N-diethylpiperidine-3-carboxamide is CCN(CC)C(=O)[C@H]1CCCN(C2CCN(C(=O)c3c4ccccc4cc4ccccc34)CC2)C1.
What is the InChIKey of (3S)-1-[1-(anthracene-9-carbonyl)piperidin-4-yl]-N,N-diethylpiperidine-3-carboxamide?
The InChIKey is TXUIRLUAKARNPD-DEOSSOPVSA-N. The full InChI is InChI=1S/C30H37N3O2/c1-3-31(4-2)29(34)24-12-9-17-33(21-24)25-15-18-32(19-16-25)30(35)28-26-13-7-5-10-22(26)20-23-11-6-8-14-27(23)28/h5-8,10-11,13-14,20,24-25H,3-4,9,12,15-19,21H2,1-2H3/t24-/m0/s1.
What are the key properties of (3S)-1-[1-(anthracene-9-carbonyl)piperidin-4-yl]-N,N-diethylpiperidine-3-carboxamide?
(3S)-1-[1-(anthracene-9-carbonyl)piperidin-4-yl]-N,N-diethylpiperidine-3-carboxamide has a molecular weight of 471.65 g/mol, XLogP of 5.18, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[1-(anthracene-9-carbonyl)piperidin-4-yl]-N,N-diethylpiperidine-3-carboxamide is sourced from PubChem (CID 25124946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).