2-[1-[2-(ethylamino)pyrimidin-4-yl]piperidin-4-yl]-1-(4-methylpiperidin-1-yl)ethanone

C19H31N5O — CID 53189292

IUPAC2-[1-[2-(ethylamino)pyrimidin-4-yl]piperidin-4-yl]-1-(4-methylpiperidin-1-yl)ethanone
SMILESCCNc1nccc(N2CCC(CC(=O)N3CCC(C)CC3)CC2)n1
InChIInChI=1S/C19H31N5O/c1-3-20-19-21-9-4-17(22-19)23-12-7-16(8-13-23)14-18(25)24-10-5-15(2)6-11-24/h4,9,15-16H,3,5-8,10-14H2,1-2H3,(H,20,21,22)
InChIKeyPCOQYEOCDDCKII-UHFFFAOYSA-N
MW345.49 g/mol
LogP2.77
Rot. Bonds5

About 2-[1-[2-(ethylamino)pyrimidin-4-yl]piperidin-4-yl]-1-(4-methylpiperidin-1-yl)ethanone

2-[1-[2-(ethylamino)pyrimidin-4-yl]piperidin-4-yl]-1-(4-methylpiperidin-1-yl)ethanone (PubChem CID 53189292) has the molecular formula C19H31N5O and a molecular weight of 345.49 g/mol. Its IUPAC name is 2-[1-[2-(ethylamino)pyrimidin-4-yl]piperidin-4-yl]-1-(4-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-[1-[2-(ethylamino)pyrimidin-4-yl]piperidin-4-yl]-1-(4-methylpiperidin-1-yl)ethanone
PubChem CID53189292
Molecular FormulaC19H31N5O
Molecular Weight345.49 g/mol
Exact Mass345.25
IUPAC Name2-[1-[2-(ethylamino)pyrimidin-4-yl]piperidin-4-yl]-1-(4-methylpiperidin-1-yl)ethanone
SMILESCCNc1nccc(N2CCC(CC(=O)N3CCC(C)CC3)CC2)n1
InChIInChI=1S/C19H31N5O/c1-3-20-19-21-9-4-17(22-19)23-12-7-16(8-13-23)14-18(25)24-10-5-15(2)6-11-24/h4,9,15-16H,3,5-8,10-14H2,1-2H3,(H,20,21,22)
InChIKeyPCOQYEOCDDCKII-UHFFFAOYSA-N
XLogP2.77
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Gepirone
CID 55191
Gepirone monohydrochloride
CID 55190
N-cyclopropyl-1-(pyrimidin-2-yl)piperidine-4-carboxamide
CID 17590602
N-[1-(pyrimidin-2-yl)piperidin-4-yl]acetamide
CID 47208637
1-Pyrimidin-2-yl-piperidine-3-carboxylic acid cycloheptylamide
CID 3223374
N-(2-methoxyethyl)-1-(pyrimidin-2-yl)piperidine-3-carboxamide
CID 645990
(4-Methylpiperidin-1-yl)-[1-(6-piperidin-1-ylpyrimidin-4-yl)piperidin-4-yl]methanone
CID 53170408
N-[1-(4-methylpiperazin-1-yl)propan-2-yl]-4-(4-methylpiperidin-1-yl)pyrimidin-2-amine
CID 162669973
1-Pyrimidin-2-yl-piperidine-4-carboxylic acid cyclohexylamide
CID 24792244
N-(3-methoxypropyl)-1-(pyrimidin-2-yl)piperidine-4-carboxamide
CID 651470
Piperidino[1-(6-piperidino-4-pyrimidinyl)-4-piperidyl]methanone
CID 53170406
(4-Methylpiperidin-1-yl)-[1-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-4-yl]methanone
CID 133534377

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(ethylamino)pyrimidin-4-yl]piperidin-4-yl]-1-(4-methylpiperidin-1-yl)ethanone?
The IUPAC name of 2-[1-[2-(ethylamino)pyrimidin-4-yl]piperidin-4-yl]-1-(4-methylpiperidin-1-yl)ethanone (CID 53189292) is 2-[1-[2-(ethylamino)pyrimidin-4-yl]piperidin-4-yl]-1-(4-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-[1-[2-(ethylamino)pyrimidin-4-yl]piperidin-4-yl]-1-(4-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-[1-[2-(ethylamino)pyrimidin-4-yl]piperidin-4-yl]-1-(4-methylpiperidin-1-yl)ethanone is CCNc1nccc(N2CCC(CC(=O)N3CCC(C)CC3)CC2)n1.
What is the InChIKey of 2-[1-[2-(ethylamino)pyrimidin-4-yl]piperidin-4-yl]-1-(4-methylpiperidin-1-yl)ethanone?
The InChIKey is PCOQYEOCDDCKII-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N5O/c1-3-20-19-21-9-4-17(22-19)23-12-7-16(8-13-23)14-18(25)24-10-5-15(2)6-11-24/h4,9,15-16H,3,5-8,10-14H2,1-2H3,(H,20,21,22).
What are the key properties of 2-[1-[2-(ethylamino)pyrimidin-4-yl]piperidin-4-yl]-1-(4-methylpiperidin-1-yl)ethanone?
2-[1-[2-(ethylamino)pyrimidin-4-yl]piperidin-4-yl]-1-(4-methylpiperidin-1-yl)ethanone has a molecular weight of 345.49 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(ethylamino)pyrimidin-4-yl]piperidin-4-yl]-1-(4-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 53189292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).