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

C23H30N4O — CID 109173607

IUPAC(2-ethylpiperidin-1-yl)-[2-(4-phenylpiperazin-1-yl)-4-pyridinyl]methanone
SMILESCCC1CCCCN1C(=O)c1ccnc(N2CCN(c3ccccc3)CC2)c1
InChIInChI=1S/C23H30N4O/c1-2-20-8-6-7-13-27(20)23(28)19-11-12-24-22(18-19)26-16-14-25(15-17-26)21-9-4-3-5-10-21/h3-5,9-12,18,20H,2,6-8,13-17H2,1H3
InChIKeyIAIXYYXZGDMFLF-UHFFFAOYSA-N
MW378.52 g/mol
LogP3.81
Rot. Bonds4

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

(2-ethylpiperidin-1-yl)-[2-(4-phenylpiperazin-1-yl)-4-pyridinyl]methanone (PubChem CID 109173607) has the molecular formula C23H30N4O and a molecular weight of 378.52 g/mol. Its IUPAC name is (2-ethylpiperidin-1-yl)-[2-(4-phenylpiperazin-1-yl)-4-pyridinyl]methanone.

Molecular Properties

Compound Name(2-ethylpiperidin-1-yl)-[2-(4-phenylpiperazin-1-yl)-4-pyridinyl]methanone
PubChem CID109173607
Molecular FormulaC23H30N4O
Molecular Weight378.52 g/mol
Exact Mass378.24
IUPAC Name(2-ethylpiperidin-1-yl)-[2-(4-phenylpiperazin-1-yl)-4-pyridinyl]methanone
SMILESCCC1CCCCN1C(=O)c1ccnc(N2CCN(c3ccccc3)CC2)c1
InChIInChI=1S/C23H30N4O/c1-2-20-8-6-7-13-27(20)23(28)19-11-12-24-22(18-19)26-16-14-25(15-17-26)21-9-4-3-5-10-21/h3-5,9-12,18,20H,2,6-8,13-17H2,1H3
InChIKeyIAIXYYXZGDMFLF-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-ethylpiperidin-1-yl)-[2-(4-pyrimidin-2-ylpiperazin-1-yl)-4-pyridinyl]methanone
CID 109174674
[2-(4-phenylpiperazin-1-yl)-4-pyridinyl]-piperidin-1-ylmethanone
CID 109166154
(2-ethylpiperidin-1-yl)-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]methanone
CID 109262220
(2-methylpiperidin-1-yl)-(2-pyrrolidin-1-yl-4-pyridinyl)methanone
CID 84574688
(2-ethylpiperidin-1-yl)-[4-(4-pyrimidin-2-ylpiperazin-1-yl)-2-pyridinyl]methanone
CID 109216338
1-(2-ethylpiperidin-1-yl)-2-(4-phenylpiperazin-1-yl)ethane-1,2-dione
CID 108523573
(3,4-dichlorophenyl)-[(2S)-2-ethylpiperidin-1-yl]methanone
CID 898025
(2-ethylpyrrolidin-1-yl)-(4-pyrrolidin-1-ylphenyl)methanone
CID 110619094
(2-ethylpyrrolidin-1-yl)-phenylmethanone
CID 20577009
(2-ethylpiperidin-1-yl)-[4-(4-hydroxypiperidin-1-yl)phenyl]methanone
CID 111331478
(2-chloro-4-pyridinyl)-(2-ethylpyrrolidin-1-yl)methanone
CID 60974569
[4-[(2S)-2-ethylpiperidine-1-carbonyl]phenyl]-[(2R)-2-ethylpiperidin-1-yl]methanone
CID 1087323

Frequently Asked Questions

What is the IUPAC name of (2-ethylpiperidin-1-yl)-[2-(4-phenylpiperazin-1-yl)-4-pyridinyl]methanone?
The IUPAC name of (2-ethylpiperidin-1-yl)-[2-(4-phenylpiperazin-1-yl)-4-pyridinyl]methanone (CID 109173607) is (2-ethylpiperidin-1-yl)-[2-(4-phenylpiperazin-1-yl)-4-pyridinyl]methanone.
What is the SMILES notation for (2-ethylpiperidin-1-yl)-[2-(4-phenylpiperazin-1-yl)-4-pyridinyl]methanone?
The canonical SMILES for (2-ethylpiperidin-1-yl)-[2-(4-phenylpiperazin-1-yl)-4-pyridinyl]methanone is CCC1CCCCN1C(=O)c1ccnc(N2CCN(c3ccccc3)CC2)c1.
What is the InChIKey of (2-ethylpiperidin-1-yl)-[2-(4-phenylpiperazin-1-yl)-4-pyridinyl]methanone?
The InChIKey is IAIXYYXZGDMFLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O/c1-2-20-8-6-7-13-27(20)23(28)19-11-12-24-22(18-19)26-16-14-25(15-17-26)21-9-4-3-5-10-21/h3-5,9-12,18,20H,2,6-8,13-17H2,1H3.
What are the key properties of (2-ethylpiperidin-1-yl)-[2-(4-phenylpiperazin-1-yl)-4-pyridinyl]methanone?
(2-ethylpiperidin-1-yl)-[2-(4-phenylpiperazin-1-yl)-4-pyridinyl]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 (2-ethylpiperidin-1-yl)-[2-(4-phenylpiperazin-1-yl)-4-pyridinyl]methanone is sourced from PubChem (CID 109173607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).