1-[2-[2-(6-imidazol-1-ylpyrimidin-4-yl)ethyl]piperidin-1-yl]ethanone

C16H21N5O — CID 110257310

IUPAC1-[2-[2-(6-imidazol-1-ylpyrimidin-4-yl)ethyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCCCC1CCc1cc(-n2ccnc2)ncn1
InChIInChI=1S/C16H21N5O/c1-13(22)21-8-3-2-4-15(21)6-5-14-10-16(19-11-18-14)20-9-7-17-12-20/h7,9-12,15H,2-6,8H2,1H3
InChIKeyIZDKAVZKSUGUBE-UHFFFAOYSA-N
MW299.38 g/mol
LogP2.00
Rot. Bonds4

About 1-[2-[2-(6-imidazol-1-ylpyrimidin-4-yl)ethyl]piperidin-1-yl]ethanone

1-[2-[2-(6-imidazol-1-ylpyrimidin-4-yl)ethyl]piperidin-1-yl]ethanone (PubChem CID 110257310) has the molecular formula C16H21N5O and a molecular weight of 299.38 g/mol. Its IUPAC name is 1-[2-[2-(6-imidazol-1-ylpyrimidin-4-yl)ethyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[2-[2-(6-imidazol-1-ylpyrimidin-4-yl)ethyl]piperidin-1-yl]ethanone
PubChem CID110257310
Molecular FormulaC16H21N5O
Molecular Weight299.38 g/mol
Exact Mass299.17
IUPAC Name1-[2-[2-(6-imidazol-1-ylpyrimidin-4-yl)ethyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCCCC1CCc1cc(-n2ccnc2)ncn1
InChIInChI=1S/C16H21N5O/c1-13(22)21-8-3-2-4-15(21)6-5-14-10-16(19-11-18-14)20-9-7-17-12-20/h7,9-12,15H,2-6,8H2,1H3
InChIKeyIZDKAVZKSUGUBE-UHFFFAOYSA-N
XLogP2.00
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[2-[2-(6-imidazol-1-ylpyrimidin-4-yl)ethyl]piperidin-1-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(2R)-2-[2-(6-imidazol-1-ylpyrimidin-4-yl)ethyl]piperidin-1-yl]ethanone
CID 95825007
1-[2-[2-(6-chloropyrimidin-4-yl)ethyl]piperidin-1-yl]ethanone
CID 66509847
4-imidazol-1-yl-6-[2-[(2R)-1-methylsulfonylpyrrolidin-2-yl]ethyl]pyrimidine
CID 95825017
(2-ethylpiperidin-1-yl)-[1-(6-imidazol-1-ylpyrimidin-4-yl)piperidin-4-yl]methanone
CID 90520223
1-[2-[2-(5-bromopyrazin-2-yl)ethyl]piperidin-1-yl]ethanone
CID 66509821
[2-(aminomethyl)piperidin-1-yl]-(2-imidazol-1-yl-4-pyridinyl)methanone;dihydrochloride
CID 119469483
(3R)-1-(6-imidazol-1-ylpyrimidin-4-yl)piperidine-3-carboxylic acid
CID 95366508
2-[1-(6-propylpyrimidin-4-yl)piperidin-2-yl]acetic acid
CID 61240133
3-[1-(6-ethylpyrimidin-4-yl)piperidin-2-yl]propanoic acid
CID 62216304
N-cyclohexyl-1-(6-imidazol-1-ylpyrimidin-4-yl)piperidine-4-carboxamide
CID 90520214
2-[[1-(cyclopentanecarbonyl)pyrrolidin-2-yl]methyl]-6-imidazol-1-ylpyridazin-3-one
CID 126926381
1-[(2R)-2-(6-imidazol-1-ylpyrazin-2-yl)pyrrolidin-1-yl]ethanone
CID 95838452

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(6-imidazol-1-ylpyrimidin-4-yl)ethyl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[2-[2-(6-imidazol-1-ylpyrimidin-4-yl)ethyl]piperidin-1-yl]ethanone (CID 110257310) is 1-[2-[2-(6-imidazol-1-ylpyrimidin-4-yl)ethyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[2-[2-(6-imidazol-1-ylpyrimidin-4-yl)ethyl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[2-[2-(6-imidazol-1-ylpyrimidin-4-yl)ethyl]piperidin-1-yl]ethanone is CC(=O)N1CCCCC1CCc1cc(-n2ccnc2)ncn1.
What is the InChIKey of 1-[2-[2-(6-imidazol-1-ylpyrimidin-4-yl)ethyl]piperidin-1-yl]ethanone?
The InChIKey is IZDKAVZKSUGUBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O/c1-13(22)21-8-3-2-4-15(21)6-5-14-10-16(19-11-18-14)20-9-7-17-12-20/h7,9-12,15H,2-6,8H2,1H3.
What are the key properties of 1-[2-[2-(6-imidazol-1-ylpyrimidin-4-yl)ethyl]piperidin-1-yl]ethanone?
1-[2-[2-(6-imidazol-1-ylpyrimidin-4-yl)ethyl]piperidin-1-yl]ethanone has a molecular weight of 299.38 g/mol, XLogP of 2.00, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(6-imidazol-1-ylpyrimidin-4-yl)ethyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 110257310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).