2-[4,6-dimethyl-2-[1-(2-phenylethyl)piperidin-3-yl]pyrimidin-5-yl]-1-piperidin-1-ylethanone

C26H36N4O — CID 110083249

IUPAC2-[4,6-dimethyl-2-[1-(2-phenylethyl)piperidin-3-yl]pyrimidin-5-yl]-1-piperidin-1-ylethanone
SMILESCc1nc(C2CCCN(CCc3ccccc3)C2)nc(C)c1CC(=O)N1CCCCC1
InChIInChI=1S/C26H36N4O/c1-20-24(18-25(31)30-15-7-4-8-16-30)21(2)28-26(27-20)23-12-9-14-29(19-23)17-13-22-10-5-3-6-11-22/h3,5-6,10-11,23H,4,7-9,12-19H2,1-2H3
InChIKeyPVAWNZGRMXWOBZ-UHFFFAOYSA-N
MW420.60 g/mol
LogP4.07
Rot. Bonds6

About 2-[4,6-dimethyl-2-[1-(2-phenylethyl)piperidin-3-yl]pyrimidin-5-yl]-1-piperidin-1-ylethanone

2-[4,6-dimethyl-2-[1-(2-phenylethyl)piperidin-3-yl]pyrimidin-5-yl]-1-piperidin-1-ylethanone (PubChem CID 110083249) has the molecular formula C26H36N4O and a molecular weight of 420.60 g/mol. Its IUPAC name is 2-[4,6-dimethyl-2-[1-(2-phenylethyl)piperidin-3-yl]pyrimidin-5-yl]-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-[4,6-dimethyl-2-[1-(2-phenylethyl)piperidin-3-yl]pyrimidin-5-yl]-1-piperidin-1-ylethanone
PubChem CID110083249
Molecular FormulaC26H36N4O
Molecular Weight420.60 g/mol
Exact Mass420.29
IUPAC Name2-[4,6-dimethyl-2-[1-(2-phenylethyl)piperidin-3-yl]pyrimidin-5-yl]-1-piperidin-1-ylethanone
SMILESCc1nc(C2CCCN(CCc3ccccc3)C2)nc(C)c1CC(=O)N1CCCCC1
InChIInChI=1S/C26H36N4O/c1-20-24(18-25(31)30-15-7-4-8-16-30)21(2)28-26(27-20)23-12-9-14-29(19-23)17-13-22-10-5-3-6-11-22/h3,5-6,10-11,23H,4,7-9,12-19H2,1-2H3
InChIKeyPVAWNZGRMXWOBZ-UHFFFAOYSA-N
XLogP4.07
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.60
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[4,6-dimethyl-2-[1-(2-phenylethyl)piperidin-3-yl]pyrimidin-5-yl]-1-piperidin-1-ylethanone with MolForge

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Launch Full Analysis

Related Compounds

2-[2-[(3S)-1-benzylpiperidin-3-yl]-4,6-dimethylpyrimidin-5-yl]-1-piperidin-1-ylethanone
CID 124980298
2-[4,6-dimethyl-2-[1-(3-phenylpropanoyl)piperidin-3-yl]pyrimidin-5-yl]-N-methylacetamide
CID 110083293
2-[2-[(3S)-1-benzoylpyrrolidin-3-yl]-4,6-dimethylpyrimidin-5-yl]-1-pyrrolidin-1-ylethanone
CID 125023466
1-[3-[4,6-dimethyl-5-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidin-2-yl]piperidin-1-yl]-2-methylpropan-1-one
CID 110083265
N-cyclopropyl-2-[4,6-dimethyl-2-[1-(3-phenylpropanoyl)piperidin-3-yl]pyrimidin-5-yl]acetamide
CID 110083297
2-[2-[(3S)-1-[(2-chlorophenyl)methyl]piperidin-3-yl]-4,6-dimethylpyrimidin-5-yl]-1-morpholin-4-ylethanone
CID 124984699
1-[1-[2-(2-amino-4,6-dimethylpyrimidin-5-yl)acetyl]piperidin-3-yl]-2-phenylethanone
CID 70712573
2-(2-amino-4,6-dimethylpyrimidin-5-yl)-1-[(3S)-3-(2-phenylethyl)piperidin-1-yl]ethanone
CID 95463526
2-[4,6-dimethyl-2-[1-(2-phenoxyacetyl)piperidin-3-yl]pyrimidin-5-yl]acetamide
CID 110083309
4,8-dimethyl-2-[(3S)-1-(2-phenylacetyl)piperidin-3-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 92618825
1-[3-[4,6-dimethyl-5-(2-oxo-2-piperidin-1-ylethyl)pyrimidin-2-yl]pyrrolidin-1-yl]-3-methoxypropan-1-one
CID 110088511
ethyl (3S)-1-(2-phenylethyl)piperidine-3-carboxylate
CID 783175

Frequently Asked Questions

What is the IUPAC name of 2-[4,6-dimethyl-2-[1-(2-phenylethyl)piperidin-3-yl]pyrimidin-5-yl]-1-piperidin-1-ylethanone?
The IUPAC name of 2-[4,6-dimethyl-2-[1-(2-phenylethyl)piperidin-3-yl]pyrimidin-5-yl]-1-piperidin-1-ylethanone (CID 110083249) is 2-[4,6-dimethyl-2-[1-(2-phenylethyl)piperidin-3-yl]pyrimidin-5-yl]-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-[4,6-dimethyl-2-[1-(2-phenylethyl)piperidin-3-yl]pyrimidin-5-yl]-1-piperidin-1-ylethanone?
The canonical SMILES for 2-[4,6-dimethyl-2-[1-(2-phenylethyl)piperidin-3-yl]pyrimidin-5-yl]-1-piperidin-1-ylethanone is Cc1nc(C2CCCN(CCc3ccccc3)C2)nc(C)c1CC(=O)N1CCCCC1.
What is the InChIKey of 2-[4,6-dimethyl-2-[1-(2-phenylethyl)piperidin-3-yl]pyrimidin-5-yl]-1-piperidin-1-ylethanone?
The InChIKey is PVAWNZGRMXWOBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N4O/c1-20-24(18-25(31)30-15-7-4-8-16-30)21(2)28-26(27-20)23-12-9-14-29(19-23)17-13-22-10-5-3-6-11-22/h3,5-6,10-11,23H,4,7-9,12-19H2,1-2H3.
What are the key properties of 2-[4,6-dimethyl-2-[1-(2-phenylethyl)piperidin-3-yl]pyrimidin-5-yl]-1-piperidin-1-ylethanone?
2-[4,6-dimethyl-2-[1-(2-phenylethyl)piperidin-3-yl]pyrimidin-5-yl]-1-piperidin-1-ylethanone has a molecular weight of 420.60 g/mol, XLogP of 4.07, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4,6-dimethyl-2-[1-(2-phenylethyl)piperidin-3-yl]pyrimidin-5-yl]-1-piperidin-1-ylethanone is sourced from PubChem (CID 110083249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).