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

C22H29N5O — CID 109261110

IUPAC[2-(2-ethylpiperidin-1-yl)pyrimidin-5-yl]-(4-phenylpiperazin-1-yl)methanone
SMILESCCC1CCCCN1c1ncc(C(=O)N2CCN(c3ccccc3)CC2)cn1
InChIInChI=1S/C22H29N5O/c1-2-19-8-6-7-11-27(19)22-23-16-18(17-24-22)21(28)26-14-12-25(13-15-26)20-9-4-3-5-10-20/h3-5,9-10,16-17,19H,2,6-8,11-15H2,1H3
InChIKeyXMCQGLUVNOWBGC-UHFFFAOYSA-N
MW379.51 g/mol
LogP3.21
Rot. Bonds4

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

[2-(2-ethylpiperidin-1-yl)pyrimidin-5-yl]-(4-phenylpiperazin-1-yl)methanone (PubChem CID 109261110) has the molecular formula C22H29N5O and a molecular weight of 379.51 g/mol. Its IUPAC name is [2-(2-ethylpiperidin-1-yl)pyrimidin-5-yl]-(4-phenylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[2-(2-ethylpiperidin-1-yl)pyrimidin-5-yl]-(4-phenylpiperazin-1-yl)methanone
PubChem CID109261110
Molecular FormulaC22H29N5O
Molecular Weight379.51 g/mol
Exact Mass379.24
IUPAC Name[2-(2-ethylpiperidin-1-yl)pyrimidin-5-yl]-(4-phenylpiperazin-1-yl)methanone
SMILESCCC1CCCCN1c1ncc(C(=O)N2CCN(c3ccccc3)CC2)cn1
InChIInChI=1S/C22H29N5O/c1-2-19-8-6-7-11-27(19)22-23-16-18(17-24-22)21(28)26-14-12-25(13-15-26)20-9-4-3-5-10-20/h3-5,9-10,16-17,19H,2,6-8,11-15H2,1H3
InChIKeyXMCQGLUVNOWBGC-UHFFFAOYSA-N
XLogP3.21
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.51
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(2-ethylpiperidin-1-yl)pyrimidin-5-yl]-pyrrolidin-1-ylmethanone
CID 109249279
[2-(2-ethylpiperidin-1-yl)pyrimidin-5-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 109262091
[5-(2-ethylpiperidin-1-yl)-3-pyridinyl]-(4-phenylpiperazin-1-yl)methanone
CID 109237515
[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]-piperidin-1-ylmethanone
CID 109249944
(2-methylpyrimidin-5-yl)-(4-phenylpiperazin-1-yl)methanone
CID 96588033
N-benzyl-N-ethyl-2-(2-ethylpiperidin-1-yl)pyrimidine-5-carboxamide
CID 109258347
(2-ethylpiperidin-1-yl)-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]methanone
CID 109262220
[2-(diethylamino)pyrimidin-5-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109261104
1-(2-ethylpiperidin-1-yl)-2-(4-phenylpiperazin-1-yl)ethane-1,2-dione
CID 108523573
(2-ethylpiperidin-1-yl)-[2-(4-phenylpiperazin-1-yl)-4-pyridinyl]methanone
CID 109173607
2-(2-ethylpiperidin-1-yl)-N-(2-fluorophenyl)pyrimidine-5-carboxamide
CID 109264249
N-cycloheptyl-2-(2-ethylpiperidin-1-yl)pyrimidine-5-carboxamide
CID 109263083

Frequently Asked Questions

What is the IUPAC name of [2-(2-ethylpiperidin-1-yl)pyrimidin-5-yl]-(4-phenylpiperazin-1-yl)methanone?
The IUPAC name of [2-(2-ethylpiperidin-1-yl)pyrimidin-5-yl]-(4-phenylpiperazin-1-yl)methanone (CID 109261110) is [2-(2-ethylpiperidin-1-yl)pyrimidin-5-yl]-(4-phenylpiperazin-1-yl)methanone.
What is the SMILES notation for [2-(2-ethylpiperidin-1-yl)pyrimidin-5-yl]-(4-phenylpiperazin-1-yl)methanone?
The canonical SMILES for [2-(2-ethylpiperidin-1-yl)pyrimidin-5-yl]-(4-phenylpiperazin-1-yl)methanone is CCC1CCCCN1c1ncc(C(=O)N2CCN(c3ccccc3)CC2)cn1.
What is the InChIKey of [2-(2-ethylpiperidin-1-yl)pyrimidin-5-yl]-(4-phenylpiperazin-1-yl)methanone?
The InChIKey is XMCQGLUVNOWBGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O/c1-2-19-8-6-7-11-27(19)22-23-16-18(17-24-22)21(28)26-14-12-25(13-15-26)20-9-4-3-5-10-20/h3-5,9-10,16-17,19H,2,6-8,11-15H2,1H3.
What are the key properties of [2-(2-ethylpiperidin-1-yl)pyrimidin-5-yl]-(4-phenylpiperazin-1-yl)methanone?
[2-(2-ethylpiperidin-1-yl)pyrimidin-5-yl]-(4-phenylpiperazin-1-yl)methanone has a molecular weight of 379.51 g/mol, XLogP of 3.21, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-ethylpiperidin-1-yl)pyrimidin-5-yl]-(4-phenylpiperazin-1-yl)methanone is sourced from PubChem (CID 109261110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).