N-[2-[2-(2-acetamidoethylamino)phenyl]pyrimidin-4-yl]-2-(4-phenoxypiperidin-1-yl)acetamide

C27H32N6O3 — CID 174477926

IUPACN-[2-[2-(2-acetamidoethylamino)phenyl]pyrimidin-4-yl]-2-(4-phenoxypiperidin-1-yl)acetamide
SMILESCC(=O)NCCNc1ccccc1-c1nccc(NC(=O)CN2CCC(Oc3ccccc3)CC2)n1
InChIInChI=1S/C27H32N6O3/c1-20(34)28-15-16-29-24-10-6-5-9-23(24)27-30-14-11-25(32-27)31-26(35)19-33-17-12-22(13-18-33)36-21-7-3-2-4-8-21/h2-11,14,22,29H,12-13,15-19H2,1H3,(H,28,34)(H,30,31,32,35)
InChIKeyAFHVZWIOGXFUIA-UHFFFAOYSA-N
MW488.59 g/mol
LogP3.17
Rot. Bonds10

About N-[2-[2-(2-acetamidoethylamino)phenyl]pyrimidin-4-yl]-2-(4-phenoxypiperidin-1-yl)acetamide

N-[2-[2-(2-acetamidoethylamino)phenyl]pyrimidin-4-yl]-2-(4-phenoxypiperidin-1-yl)acetamide (PubChem CID 174477926) has the molecular formula C27H32N6O3 and a molecular weight of 488.59 g/mol. Its IUPAC name is N-[2-[2-(2-acetamidoethylamino)phenyl]pyrimidin-4-yl]-2-(4-phenoxypiperidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-[2-(2-acetamidoethylamino)phenyl]pyrimidin-4-yl]-2-(4-phenoxypiperidin-1-yl)acetamide
PubChem CID174477926
Molecular FormulaC27H32N6O3
Molecular Weight488.59 g/mol
Exact Mass488.25
IUPAC NameN-[2-[2-(2-acetamidoethylamino)phenyl]pyrimidin-4-yl]-2-(4-phenoxypiperidin-1-yl)acetamide
SMILESCC(=O)NCCNc1ccccc1-c1nccc(NC(=O)CN2CCC(Oc3ccccc3)CC2)n1
InChIInChI=1S/C27H32N6O3/c1-20(34)28-15-16-29-24-10-6-5-9-23(24)27-30-14-11-25(32-27)31-26(35)19-33-17-12-22(13-18-33)36-21-7-3-2-4-8-21/h2-11,14,22,29H,12-13,15-19H2,1H3,(H,28,34)(H,30,31,32,35)
InChIKeyAFHVZWIOGXFUIA-UHFFFAOYSA-N
XLogP3.17
TPSA108.48 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.59
LogP ≤ 53.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[2-(2-acetamidoethylamino)phenyl]pyrimidin-4-yl]-2-[4-(4-chlorophenoxy)piperidin-1-yl]acetamide
CID 174477880
N-[2-[2-(2-acetamidoethylamino)phenyl]pyrimidin-4-yl]-2-[4-(2-phenylethyl)piperazin-1-yl]acetamide
CID 174477799
N-[2-[2-(2-acetamidoethylamino)phenyl]pyrimidin-4-yl]-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 174464795
N-[2-[2-(2-acetamidoethylamino)phenyl]pyrimidin-4-yl]-2-(4-cyclohexyl-2-methylpiperazin-1-yl)acetamide
CID 174464791
N-[6-(2-acetamidoethylamino)-2-phenylpyrimidin-4-yl]-2-(4-phenylpiperidin-1-yl)acetamide
CID 22379084
N-(2-tert-butyl-5-methylpyrazol-3-yl)-2-(4-phenoxypiperidin-1-yl)acetamide
CID 47544876
2-(4-phenoxypiperidin-1-yl)acetamide
CID 47395345
N-[6-(2-acetamidoethylamino)-2-phenylpyrimidin-4-yl]-2-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 22378889
2-[4-(2-methoxyanilino)piperidin-1-yl]-N-pyridin-2-ylacetamide
CID 10735928
N-[(1-phenacylpiperidin-4-yl)methyl]acetamide
CID 102736676
N-(2-acetamidoethyl)-2-[(3S)-3-[(pyridin-2-ylamino)methyl]pyrrolidin-1-yl]acetamide
CID 95156695
N-[2-(2-phenoxyanilino)ethyl]acetamide
CID 103604146

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2-acetamidoethylamino)phenyl]pyrimidin-4-yl]-2-(4-phenoxypiperidin-1-yl)acetamide?
The IUPAC name of N-[2-[2-(2-acetamidoethylamino)phenyl]pyrimidin-4-yl]-2-(4-phenoxypiperidin-1-yl)acetamide (CID 174477926) is N-[2-[2-(2-acetamidoethylamino)phenyl]pyrimidin-4-yl]-2-(4-phenoxypiperidin-1-yl)acetamide.
What is the SMILES notation for N-[2-[2-(2-acetamidoethylamino)phenyl]pyrimidin-4-yl]-2-(4-phenoxypiperidin-1-yl)acetamide?
The canonical SMILES for N-[2-[2-(2-acetamidoethylamino)phenyl]pyrimidin-4-yl]-2-(4-phenoxypiperidin-1-yl)acetamide is CC(=O)NCCNc1ccccc1-c1nccc(NC(=O)CN2CCC(Oc3ccccc3)CC2)n1.
What is the InChIKey of N-[2-[2-(2-acetamidoethylamino)phenyl]pyrimidin-4-yl]-2-(4-phenoxypiperidin-1-yl)acetamide?
The InChIKey is AFHVZWIOGXFUIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N6O3/c1-20(34)28-15-16-29-24-10-6-5-9-23(24)27-30-14-11-25(32-27)31-26(35)19-33-17-12-22(13-18-33)36-21-7-3-2-4-8-21/h2-11,14,22,29H,12-13,15-19H2,1H3,(H,28,34)(H,30,31,32,35).
What are the key properties of N-[2-[2-(2-acetamidoethylamino)phenyl]pyrimidin-4-yl]-2-(4-phenoxypiperidin-1-yl)acetamide?
N-[2-[2-(2-acetamidoethylamino)phenyl]pyrimidin-4-yl]-2-(4-phenoxypiperidin-1-yl)acetamide has a molecular weight of 488.59 g/mol, XLogP of 3.17, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(2-acetamidoethylamino)phenyl]pyrimidin-4-yl]-2-(4-phenoxypiperidin-1-yl)acetamide is sourced from PubChem (CID 174477926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).