1-[2-(1H-imidazol-1-yl)-4-pyrimidinyl]-N-[2-(4-methoxyphenyl)ethyl]-2-piperidineacetamide

C23H28N6O2 — CID 16115472

IUPAC2-[1-(2-imidazol-1-ylpyrimidin-4-yl)piperidin-2-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide
SMILESCOC1=CC=C(C=C1)CCNC(=O)CC2CCCCN2C3=NC(=NC=C3)N4C=CN=C4
InChIInChI=1S/C23H28N6O2/c1-31-20-7-5-18(6-8-20)9-11-25-22(30)16-19-4-2-3-14-29(19)21-10-12-26-23(27-21)28-15-13-24-17-28/h5-8,10,12-13,15,17,19H,2-4,9,11,14,16H2,1H3,(H,25,30)
InChIKeyKRNSTVMZJJNREA-UHFFFAOYSA-N
MW420.50 g/mol
LogP2.80
Rot. Bonds8

About 1-[2-(1H-imidazol-1-yl)-4-pyrimidinyl]-N-[2-(4-methoxyphenyl)ethyl]-2-piperidineacetamide

1-[2-(1H-imidazol-1-yl)-4-pyrimidinyl]-N-[2-(4-methoxyphenyl)ethyl]-2-piperidineacetamide (PubChem CID 16115472) has the molecular formula C23H28N6O2 and a molecular weight of 420.50 g/mol. Its IUPAC name is 2-[1-(2-imidazol-1-ylpyrimidin-4-yl)piperidin-2-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name1-[2-(1H-imidazol-1-yl)-4-pyrimidinyl]-N-[2-(4-methoxyphenyl)ethyl]-2-piperidineacetamide
PubChem CID16115472
Molecular FormulaC23H28N6O2
Molecular Weight420.50 g/mol
Exact Mass420.23
IUPAC Name2-[1-(2-imidazol-1-ylpyrimidin-4-yl)piperidin-2-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide
SMILESCOC1=CC=C(C=C1)CCNC(=O)CC2CCCCN2C3=NC(=NC=C3)N4C=CN=C4
InChIInChI=1S/C23H28N6O2/c1-31-20-7-5-18(6-8-20)9-11-25-22(30)16-19-4-2-3-14-29(19)21-10-12-26-23(27-21)28-15-13-24-17-28/h5-8,10,12-13,15,17,19H,2-4,9,11,14,16H2,1H3,(H,25,30)
InChIKeyKRNSTVMZJJNREA-UHFFFAOYSA-N
XLogP2.80
TPSA85.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity556

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.50
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-cyano-4-(cyclohexylamino)-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-5-carboxamide
CID 16108888
2-cyano-4-[(2,2-dimethylpropyl)amino]-N-(2-{4-[2-(1H-imidazol-1-yl)ethoxy]phenyl}ethyl)pyrimidine-5-carboxamide
CID 16108894
N-(3-imidazol-1-ylpropyl)-8-(4-methoxyphenyl)-1,6-naphthyridine-2-carboxamide
CID 4055067
N-[2-(4-methoxyphenyl)ethyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 675270
methyl (3S)-3-{2-[(1,3-benzodioxol-5-ylmethyl)amino]-2-oxoethyl}-4-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]piperazine-1-carboxylate
CID 16116169
N-{1-[cis-3-(Acetylamino)cyclobutyl]-1h-Imidazol-4-Yl}-2-(4-Methoxyphenyl)acetamide
CID 44186774
3-{[(Benzo[1,3]dioxol-5-ylmethyl)-carbamoyl]-methyl}-4-(2-imidazol-1-yl-pyrimidin-4-yl)-piperazine-1-carboxylic acid methyl ester
CID 10390369
N-[(1,3-benzodioxol-5-yl)methyl]-1-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]-2-piperazineacetamide
CID 16114993
2-((R)-1-(2-(1H-imidazol-1-yl)pyrimidin-4-yl)pyrrolidin-2-yl)-N-(benzo[d][1,3]dioxol-5-ylmethyl)acetamide
CID 16115745
4-(acetyl)-N-[(1,3-benzodioxol-5-yl)methyl]-1-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]-2-piperazineacetamide
CID 16115898
N-[(1,3-benzodioxol-5-yl)methyl]-1-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]-4-methyl-2-piperazineacetamide
CID 16115900
N-[(1,3-benzodioxol-5-yl)methyl]-1-[2-(1H-imidazol-1-yl)-4-pyrimidinyl]-2-piperidineacetamide
CID 16116170

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1H-imidazol-1-yl)-4-pyrimidinyl]-N-[2-(4-methoxyphenyl)ethyl]-2-piperidineacetamide?
The IUPAC name of 1-[2-(1H-imidazol-1-yl)-4-pyrimidinyl]-N-[2-(4-methoxyphenyl)ethyl]-2-piperidineacetamide (CID 16115472) is 2-[1-(2-imidazol-1-ylpyrimidin-4-yl)piperidin-2-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 1-[2-(1H-imidazol-1-yl)-4-pyrimidinyl]-N-[2-(4-methoxyphenyl)ethyl]-2-piperidineacetamide?
The canonical SMILES for 1-[2-(1H-imidazol-1-yl)-4-pyrimidinyl]-N-[2-(4-methoxyphenyl)ethyl]-2-piperidineacetamide is COC1=CC=C(C=C1)CCNC(=O)CC2CCCCN2C3=NC(=NC=C3)N4C=CN=C4.
What is the InChIKey of 1-[2-(1H-imidazol-1-yl)-4-pyrimidinyl]-N-[2-(4-methoxyphenyl)ethyl]-2-piperidineacetamide?
The InChIKey is KRNSTVMZJJNREA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O2/c1-31-20-7-5-18(6-8-20)9-11-25-22(30)16-19-4-2-3-14-29(19)21-10-12-26-23(27-21)28-15-13-24-17-28/h5-8,10,12-13,15,17,19H,2-4,9,11,14,16H2,1H3,(H,25,30).
What are the key properties of 1-[2-(1H-imidazol-1-yl)-4-pyrimidinyl]-N-[2-(4-methoxyphenyl)ethyl]-2-piperidineacetamide?
1-[2-(1H-imidazol-1-yl)-4-pyrimidinyl]-N-[2-(4-methoxyphenyl)ethyl]-2-piperidineacetamide has a molecular weight of 420.50 g/mol, XLogP of 2.80, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1H-imidazol-1-yl)-4-pyrimidinyl]-N-[2-(4-methoxyphenyl)ethyl]-2-piperidineacetamide is sourced from PubChem (CID 16115472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).