1-(6-imidazol-1-ylpyrimidin-4-yl)-N-[2-(6-piperidin-1-ylpyrimidin-4-yl)oxyethyl]piperidine-4-carboxamide

C24H31N9O2 — CID 90520452

IUPAC1-(6-imidazol-1-ylpyrimidin-4-yl)-N-[2-(6-piperidin-1-ylpyrimidin-4-yl)oxyethyl]piperidine-4-carboxamide
SMILESO=C(NCCOc1cc(N2CCCCC2)ncn1)C1CCN(c2cc(-n3ccnc3)ncn2)CC1
InChIInChI=1S/C24H31N9O2/c34-24(26-7-13-35-23-15-22(29-17-30-23)31-8-2-1-3-9-31)19-4-10-32(11-5-19)20-14-21(28-16-27-20)33-12-6-25-18-33/h6,12,14-19H,1-5,7-11,13H2,(H,26,34)
InChIKeyCSZKYSPLCXJEPQ-UHFFFAOYSA-N
MW477.57 g/mol
LogP1.85
Rot. Bonds8

About 1-(6-imidazol-1-ylpyrimidin-4-yl)-N-[2-(6-piperidin-1-ylpyrimidin-4-yl)oxyethyl]piperidine-4-carboxamide

1-(6-imidazol-1-ylpyrimidin-4-yl)-N-[2-(6-piperidin-1-ylpyrimidin-4-yl)oxyethyl]piperidine-4-carboxamide (PubChem CID 90520452) has the molecular formula C24H31N9O2 and a molecular weight of 477.57 g/mol. Its IUPAC name is 1-(6-imidazol-1-ylpyrimidin-4-yl)-N-[2-(6-piperidin-1-ylpyrimidin-4-yl)oxyethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(6-imidazol-1-ylpyrimidin-4-yl)-N-[2-(6-piperidin-1-ylpyrimidin-4-yl)oxyethyl]piperidine-4-carboxamide
PubChem CID90520452
Molecular FormulaC24H31N9O2
Molecular Weight477.57 g/mol
Exact Mass477.26
IUPAC Name1-(6-imidazol-1-ylpyrimidin-4-yl)-N-[2-(6-piperidin-1-ylpyrimidin-4-yl)oxyethyl]piperidine-4-carboxamide
SMILESO=C(NCCOc1cc(N2CCCCC2)ncn1)C1CCN(c2cc(-n3ccnc3)ncn2)CC1
InChIInChI=1S/C24H31N9O2/c34-24(26-7-13-35-23-15-22(29-17-30-23)31-8-2-1-3-9-31)19-4-10-32(11-5-19)20-14-21(28-16-27-20)33-12-6-25-18-33/h6,12,14-19H,1-5,7-11,13H2,(H,26,34)
InChIKeyCSZKYSPLCXJEPQ-UHFFFAOYSA-N
XLogP1.85
TPSA114.19 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.57
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-cyclohexyl-1-(6-imidazol-1-ylpyrimidin-4-yl)piperidine-4-carboxamide
CID 90520214
1-(6-imidazol-1-ylpyrimidin-4-yl)-N-[2-(4-methoxyphenyl)ethyl]piperidine-4-carboxamide
CID 90520324
N-[2-(4-fluorophenyl)ethyl]-1-(6-imidazol-1-ylpyrimidin-4-yl)piperidine-4-carboxamide
CID 90520435
N-[(4-chlorophenyl)methyl]-1-(6-imidazol-1-ylpyrimidin-4-yl)piperidine-4-carboxamide
CID 56764930
1-(6-imidazol-1-ylpyrimidin-4-yl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
CID 56764920
1-[6-(4-fluorophenyl)pyridazin-3-yl]-N-[2-(6-piperidin-1-ylpyrimidin-4-yl)oxyethyl]piperidine-4-carboxamide
CID 121072176
N-(4-ethoxyphenyl)-1-(6-imidazol-1-ylpyrimidin-4-yl)piperidine-4-carboxamide
CID 90520297
1-(6-imidazol-1-ylpyrimidin-4-yl)-N-(2,4,6-trimethylphenyl)piperidine-4-carboxamide
CID 90520313
1-(6-imidazol-1-ylpyrimidin-4-yl)-N-[4-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 90520307
1-(6-imidazol-1-ylpyrimidin-4-yl)-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]piperidine-4-carboxamide
CID 90520440
(3R)-1-(6-imidazol-1-ylpyrimidin-4-yl)piperidine-3-carboxylic acid
CID 95366508
1-(6-imidazol-1-ylpyrimidin-4-yl)-N-(3-methyl-1,2-thiazol-5-yl)piperidine-4-carboxamide
CID 90520395

Frequently Asked Questions

What is the IUPAC name of 1-(6-imidazol-1-ylpyrimidin-4-yl)-N-[2-(6-piperidin-1-ylpyrimidin-4-yl)oxyethyl]piperidine-4-carboxamide?
The IUPAC name of 1-(6-imidazol-1-ylpyrimidin-4-yl)-N-[2-(6-piperidin-1-ylpyrimidin-4-yl)oxyethyl]piperidine-4-carboxamide (CID 90520452) is 1-(6-imidazol-1-ylpyrimidin-4-yl)-N-[2-(6-piperidin-1-ylpyrimidin-4-yl)oxyethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(6-imidazol-1-ylpyrimidin-4-yl)-N-[2-(6-piperidin-1-ylpyrimidin-4-yl)oxyethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(6-imidazol-1-ylpyrimidin-4-yl)-N-[2-(6-piperidin-1-ylpyrimidin-4-yl)oxyethyl]piperidine-4-carboxamide is O=C(NCCOc1cc(N2CCCCC2)ncn1)C1CCN(c2cc(-n3ccnc3)ncn2)CC1.
What is the InChIKey of 1-(6-imidazol-1-ylpyrimidin-4-yl)-N-[2-(6-piperidin-1-ylpyrimidin-4-yl)oxyethyl]piperidine-4-carboxamide?
The InChIKey is CSZKYSPLCXJEPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N9O2/c34-24(26-7-13-35-23-15-22(29-17-30-23)31-8-2-1-3-9-31)19-4-10-32(11-5-19)20-14-21(28-16-27-20)33-12-6-25-18-33/h6,12,14-19H,1-5,7-11,13H2,(H,26,34).
What are the key properties of 1-(6-imidazol-1-ylpyrimidin-4-yl)-N-[2-(6-piperidin-1-ylpyrimidin-4-yl)oxyethyl]piperidine-4-carboxamide?
1-(6-imidazol-1-ylpyrimidin-4-yl)-N-[2-(6-piperidin-1-ylpyrimidin-4-yl)oxyethyl]piperidine-4-carboxamide has a molecular weight of 477.57 g/mol, XLogP of 1.85, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-imidazol-1-ylpyrimidin-4-yl)-N-[2-(6-piperidin-1-ylpyrimidin-4-yl)oxyethyl]piperidine-4-carboxamide is sourced from PubChem (CID 90520452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).