(3R)-1-[1-(anthracene-9-carbonyl)piperidin-4-yl]-N-cyclobutylpiperidine-3-carboxamide

C30H35N3O2 — CID 10174028

IUPAC(3R)-1-[1-(anthracene-9-carbonyl)piperidin-4-yl]-N-cyclobutylpiperidine-3-carboxamide
SMILESO=C(NC1CCC1)[C@@H]1CCCN(C2CCN(C(=O)c3c4ccccc4cc4ccccc34)CC2)C1
InChIInChI=1S/C30H35N3O2/c34-29(31-24-10-5-11-24)23-9-6-16-33(20-23)25-14-17-32(18-15-25)30(35)28-26-12-3-1-7-21(26)19-22-8-2-4-13-27(22)28/h1-4,7-8,12-13,19,23-25H,5-6,9-11,14-18,20H2,(H,31,34)/t23-/m1/s1
InChIKeyYGHPPMKOFFCNSE-HSZRJFAPSA-N
MW469.63 g/mol
LogP4.98
Rot. Bonds4

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

(3R)-1-[1-(anthracene-9-carbonyl)piperidin-4-yl]-N-cyclobutylpiperidine-3-carboxamide (PubChem CID 10174028) has the molecular formula C30H35N3O2 and a molecular weight of 469.63 g/mol. Its IUPAC name is (3R)-1-[1-(anthracene-9-carbonyl)piperidin-4-yl]-N-cyclobutylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[1-(anthracene-9-carbonyl)piperidin-4-yl]-N-cyclobutylpiperidine-3-carboxamide
PubChem CID10174028
Molecular FormulaC30H35N3O2
Molecular Weight469.63 g/mol
Exact Mass469.27
IUPAC Name(3R)-1-[1-(anthracene-9-carbonyl)piperidin-4-yl]-N-cyclobutylpiperidine-3-carboxamide
SMILESO=C(NC1CCC1)[C@@H]1CCCN(C2CCN(C(=O)c3c4ccccc4cc4ccccc34)CC2)C1
InChIInChI=1S/C30H35N3O2/c34-29(31-24-10-5-11-24)23-9-6-16-33(20-23)25-14-17-32(18-15-25)30(35)28-26-12-3-1-7-21(26)19-22-8-2-4-13-27(22)28/h1-4,7-8,12-13,19,23-25H,5-6,9-11,14-18,20H2,(H,31,34)/t23-/m1/s1
InChIKeyYGHPPMKOFFCNSE-HSZRJFAPSA-N
XLogP4.98
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.63
LogP ≤ 54.98
H-Bond Donors ≤ 51
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]-pyrrolidin-1-ylmethanone
CID 22263076
[1-[1-(anthracene-9-carbonyl)piperidin-4-yl]piperidin-3-yl]-(3,6-dihydro-2H-pyridin-1-yl)methanone
CID 22263182
(3S)-1-[1-(anthracene-9-carbonyl)piperidin-4-yl]-N,N-diethylpiperidine-3-carboxamide
CID 25124946
(3R)-N-cyclopropyl-1-[1-(3-hydroxybenzoyl)piperidin-4-yl]piperidine-3-carboxamide
CID 95543594
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]-N-(2-cyanoethyl)-N-cyclopropylpiperidine-3-carboxamide
CID 91164144
N-cyclopropyl-1-[1-(2-methoxybenzoyl)piperidin-4-yl]piperidine-3-carboxamide
CID 56867909
N-cyclopropyl-1-[1-(phenylcarbamoyl)piperidin-4-yl]piperidine-3-carboxamide
CID 45220733
[(3R)-1-[1-(anthracene-9-carbonyl)piperidin-4-yl]piperidin-3-yl]-(2-ethylpiperazin-1-yl)methanone
CID 23589178
(3R)-N-cyclopropyl-1-[1-(6-methylpyridine-3-carbonyl)piperidin-4-yl]piperidine-3-carboxamide
CID 95415295
(3R)-N-cyclopropyl-1-[1-(5-methylpyrazine-2-carbonyl)piperidin-4-yl]piperidine-3-carboxamide
CID 95549906

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[1-(anthracene-9-carbonyl)piperidin-4-yl]-N-cyclobutylpiperidine-3-carboxamide?
The IUPAC name of (3R)-1-[1-(anthracene-9-carbonyl)piperidin-4-yl]-N-cyclobutylpiperidine-3-carboxamide (CID 10174028) is (3R)-1-[1-(anthracene-9-carbonyl)piperidin-4-yl]-N-cyclobutylpiperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[1-(anthracene-9-carbonyl)piperidin-4-yl]-N-cyclobutylpiperidine-3-carboxamide?
The canonical SMILES for (3R)-1-[1-(anthracene-9-carbonyl)piperidin-4-yl]-N-cyclobutylpiperidine-3-carboxamide is O=C(NC1CCC1)[C@@H]1CCCN(C2CCN(C(=O)c3c4ccccc4cc4ccccc34)CC2)C1.
What is the InChIKey of (3R)-1-[1-(anthracene-9-carbonyl)piperidin-4-yl]-N-cyclobutylpiperidine-3-carboxamide?
The InChIKey is YGHPPMKOFFCNSE-HSZRJFAPSA-N. The full InChI is InChI=1S/C30H35N3O2/c34-29(31-24-10-5-11-24)23-9-6-16-33(20-23)25-14-17-32(18-15-25)30(35)28-26-12-3-1-7-21(26)19-22-8-2-4-13-27(22)28/h1-4,7-8,12-13,19,23-25H,5-6,9-11,14-18,20H2,(H,31,34)/t23-/m1/s1.
What are the key properties of (3R)-1-[1-(anthracene-9-carbonyl)piperidin-4-yl]-N-cyclobutylpiperidine-3-carboxamide?
(3R)-1-[1-(anthracene-9-carbonyl)piperidin-4-yl]-N-cyclobutylpiperidine-3-carboxamide has a molecular weight of 469.63 g/mol, XLogP of 4.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[1-(anthracene-9-carbonyl)piperidin-4-yl]-N-cyclobutylpiperidine-3-carboxamide is sourced from PubChem (CID 10174028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).