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

C21H28N6O — CID 109174674

IUPAC(2-ethylpiperidin-1-yl)-[2-(4-pyrimidin-2-ylpiperazin-1-yl)-4-pyridinyl]methanone
SMILESCCC1CCCCN1C(=O)c1ccnc(N2CCN(c3ncccn3)CC2)c1
InChIInChI=1S/C21H28N6O/c1-2-18-6-3-4-11-27(18)20(28)17-7-10-22-19(16-17)25-12-14-26(15-13-25)21-23-8-5-9-24-21/h5,7-10,16,18H,2-4,6,11-15H2,1H3
InChIKeyVPQJCMZSLBQPTF-UHFFFAOYSA-N
MW380.50 g/mol
LogP2.60
Rot. Bonds4

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

(2-ethylpiperidin-1-yl)-[2-(4-pyrimidin-2-ylpiperazin-1-yl)-4-pyridinyl]methanone (PubChem CID 109174674) has the molecular formula C21H28N6O and a molecular weight of 380.50 g/mol. Its IUPAC name is (2-ethylpiperidin-1-yl)-[2-(4-pyrimidin-2-ylpiperazin-1-yl)-4-pyridinyl]methanone.

Molecular Properties

Compound Name(2-ethylpiperidin-1-yl)-[2-(4-pyrimidin-2-ylpiperazin-1-yl)-4-pyridinyl]methanone
PubChem CID109174674
Molecular FormulaC21H28N6O
Molecular Weight380.50 g/mol
Exact Mass380.23
IUPAC Name(2-ethylpiperidin-1-yl)-[2-(4-pyrimidin-2-ylpiperazin-1-yl)-4-pyridinyl]methanone
SMILESCCC1CCCCN1C(=O)c1ccnc(N2CCN(c3ncccn3)CC2)c1
InChIInChI=1S/C21H28N6O/c1-2-18-6-3-4-11-27(18)20(28)17-7-10-22-19(16-17)25-12-14-26(15-13-25)21-23-8-5-9-24-21/h5,7-10,16,18H,2-4,6,11-15H2,1H3
InChIKeyVPQJCMZSLBQPTF-UHFFFAOYSA-N
XLogP2.60
TPSA65.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.50
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (2-ethylpiperidin-1-yl)-[2-(4-pyrimidin-2-ylpiperazin-1-yl)-4-pyridinyl]methanone with MolForge

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Related Compounds

(2-ethylpiperidin-1-yl)-[2-(4-phenylpiperazin-1-yl)-4-pyridinyl]methanone
CID 109173607
(2-ethylpiperidin-1-yl)-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]methanone
CID 109262220
(2-ethylpiperidin-1-yl)-[4-(4-pyrimidin-2-ylpiperazin-1-yl)-2-pyridinyl]methanone
CID 109216338
(2-methylpiperidin-1-yl)-(2-pyrrolidin-1-yl-4-pyridinyl)methanone
CID 84574688
(4-ethylpiperazin-1-yl)-[2-(4-pyrimidin-2-ylpiperazin-1-yl)-4-pyridinyl]methanone
CID 109168658
[2-(2-ethylpiperidine-1-carbonyl)cyclopropyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 109139231
(3,4-dichlorophenyl)-[(2S)-2-ethylpiperidin-1-yl]methanone
CID 898025
[2-(azepan-1-yl)pyrimidin-4-yl]-(2-ethylpiperidin-1-yl)methanone
CID 109312558
(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
[(2S)-2-ethylpiperidin-1-yl]-(3-pyrimidin-2-yloxyphenyl)methanone
CID 95875592
(2-ethylpiperidin-1-yl)-[2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-oxazol-4-yl]methanone
CID 45167683

Frequently Asked Questions

What is the IUPAC name of (2-ethylpiperidin-1-yl)-[2-(4-pyrimidin-2-ylpiperazin-1-yl)-4-pyridinyl]methanone?
The IUPAC name of (2-ethylpiperidin-1-yl)-[2-(4-pyrimidin-2-ylpiperazin-1-yl)-4-pyridinyl]methanone (CID 109174674) is (2-ethylpiperidin-1-yl)-[2-(4-pyrimidin-2-ylpiperazin-1-yl)-4-pyridinyl]methanone.
What is the SMILES notation for (2-ethylpiperidin-1-yl)-[2-(4-pyrimidin-2-ylpiperazin-1-yl)-4-pyridinyl]methanone?
The canonical SMILES for (2-ethylpiperidin-1-yl)-[2-(4-pyrimidin-2-ylpiperazin-1-yl)-4-pyridinyl]methanone is CCC1CCCCN1C(=O)c1ccnc(N2CCN(c3ncccn3)CC2)c1.
What is the InChIKey of (2-ethylpiperidin-1-yl)-[2-(4-pyrimidin-2-ylpiperazin-1-yl)-4-pyridinyl]methanone?
The InChIKey is VPQJCMZSLBQPTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N6O/c1-2-18-6-3-4-11-27(18)20(28)17-7-10-22-19(16-17)25-12-14-26(15-13-25)21-23-8-5-9-24-21/h5,7-10,16,18H,2-4,6,11-15H2,1H3.
What are the key properties of (2-ethylpiperidin-1-yl)-[2-(4-pyrimidin-2-ylpiperazin-1-yl)-4-pyridinyl]methanone?
(2-ethylpiperidin-1-yl)-[2-(4-pyrimidin-2-ylpiperazin-1-yl)-4-pyridinyl]methanone has a molecular weight of 380.50 g/mol, XLogP of 2.60, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylpiperidin-1-yl)-[2-(4-pyrimidin-2-ylpiperazin-1-yl)-4-pyridinyl]methanone is sourced from PubChem (CID 109174674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).