[5-(2-ethylpiperidin-1-yl)-3-pyridinyl]-(4-phenylpiperazin-1-yl)methanone

C23H30N4O — CID 109237515

IUPAC[5-(2-ethylpiperidin-1-yl)-3-pyridinyl]-(4-phenylpiperazin-1-yl)methanone
SMILESCCC1CCCCN1c1cncc(C(=O)N2CCN(c3ccccc3)CC2)c1
InChIInChI=1S/C23H30N4O/c1-2-20-8-6-7-11-27(20)22-16-19(17-24-18-22)23(28)26-14-12-25(13-15-26)21-9-4-3-5-10-21/h3-5,9-10,16-18,20H,2,6-8,11-15H2,1H3
InChIKeyCSAMDXBDBBFQQG-UHFFFAOYSA-N
MW378.52 g/mol
LogP3.81
Rot. Bonds4

About [5-(2-ethylpiperidin-1-yl)-3-pyridinyl]-(4-phenylpiperazin-1-yl)methanone

[5-(2-ethylpiperidin-1-yl)-3-pyridinyl]-(4-phenylpiperazin-1-yl)methanone (PubChem CID 109237515) has the molecular formula C23H30N4O and a molecular weight of 378.52 g/mol. Its IUPAC name is [5-(2-ethylpiperidin-1-yl)-3-pyridinyl]-(4-phenylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[5-(2-ethylpiperidin-1-yl)-3-pyridinyl]-(4-phenylpiperazin-1-yl)methanone
PubChem CID109237515
Molecular FormulaC23H30N4O
Molecular Weight378.52 g/mol
Exact Mass378.24
IUPAC Name[5-(2-ethylpiperidin-1-yl)-3-pyridinyl]-(4-phenylpiperazin-1-yl)methanone
SMILESCCC1CCCCN1c1cncc(C(=O)N2CCN(c3ccccc3)CC2)c1
InChIInChI=1S/C23H30N4O/c1-2-20-8-6-7-11-27(20)22-16-19(17-24-18-22)23(28)26-14-12-25(13-15-26)21-9-4-3-5-10-21/h3-5,9-10,16-18,20H,2,6-8,11-15H2,1H3
InChIKeyCSAMDXBDBBFQQG-UHFFFAOYSA-N
XLogP3.81
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2-ethylpiperidin-1-yl)pyrimidin-5-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109261110
[5-(2-ethylpiperidin-1-yl)-3-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 109240600
N-benzyl-5-(2-ethylpiperidin-1-yl)pyridine-3-carboxamide
CID 109231683
5-(2-ethylpiperidin-1-yl)-N-(4-piperidin-1-ylphenyl)pyridine-3-carboxamide
CID 109240663
N-(2,6-dimethylphenyl)-5-(2-ethylpiperidin-1-yl)pyridine-3-carboxamide
CID 109240615
N-cyclopentyl-5-(2-ethylpiperidin-1-yl)pyridine-3-carboxamide
CID 109225954
(4-methylpiperazin-1-yl)-[5-(4-phenylpiperazine-1-carbonyl)-3-pyridinyl]methanone
CID 109104427
[5-(diethylamino)-3-pyridinyl]-(4-phenylpiperazin-1-yl)methanone
CID 109237509
(2-ethylpiperidin-1-yl)-[2-(4-phenylpiperazin-1-yl)-4-pyridinyl]methanone
CID 109173607
N,N-diethyl-5-(4-phenylpiperazine-1-carbonyl)pyridine-3-carboxamide
CID 109106558
azepan-1-yl-[5-(2-ethylpiperidine-1-carbonyl)-3-pyridinyl]methanone
CID 109107415
methyl 2-[[5-(2-ethylpiperidin-1-yl)pyridine-3-carbonyl]amino]benzoate
CID 109240657

Frequently Asked Questions

What is the IUPAC name of [5-(2-ethylpiperidin-1-yl)-3-pyridinyl]-(4-phenylpiperazin-1-yl)methanone?
The IUPAC name of [5-(2-ethylpiperidin-1-yl)-3-pyridinyl]-(4-phenylpiperazin-1-yl)methanone (CID 109237515) is [5-(2-ethylpiperidin-1-yl)-3-pyridinyl]-(4-phenylpiperazin-1-yl)methanone.
What is the SMILES notation for [5-(2-ethylpiperidin-1-yl)-3-pyridinyl]-(4-phenylpiperazin-1-yl)methanone?
The canonical SMILES for [5-(2-ethylpiperidin-1-yl)-3-pyridinyl]-(4-phenylpiperazin-1-yl)methanone is CCC1CCCCN1c1cncc(C(=O)N2CCN(c3ccccc3)CC2)c1.
What is the InChIKey of [5-(2-ethylpiperidin-1-yl)-3-pyridinyl]-(4-phenylpiperazin-1-yl)methanone?
The InChIKey is CSAMDXBDBBFQQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O/c1-2-20-8-6-7-11-27(20)22-16-19(17-24-18-22)23(28)26-14-12-25(13-15-26)21-9-4-3-5-10-21/h3-5,9-10,16-18,20H,2,6-8,11-15H2,1H3.
What are the key properties of [5-(2-ethylpiperidin-1-yl)-3-pyridinyl]-(4-phenylpiperazin-1-yl)methanone?
[5-(2-ethylpiperidin-1-yl)-3-pyridinyl]-(4-phenylpiperazin-1-yl)methanone has a molecular weight of 378.52 g/mol, XLogP of 3.81, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-ethylpiperidin-1-yl)-3-pyridinyl]-(4-phenylpiperazin-1-yl)methanone is sourced from PubChem (CID 109237515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).