1-(4-benzylpiperidin-1-yl)-2-[(2,6-dimethylpyrimidin-4-yl)amino]ethanone

C20H26N4O — CID 133342486

IUPAC1-(4-benzylpiperidin-1-yl)-2-[(2,6-dimethylpyrimidin-4-yl)amino]ethanone
SMILESCc1cc(NCC(=O)N2CCC(Cc3ccccc3)CC2)nc(C)n1
InChIInChI=1S/C20H26N4O/c1-15-12-19(23-16(2)22-15)21-14-20(25)24-10-8-18(9-11-24)13-17-6-4-3-5-7-17/h3-7,12,18H,8-11,13-14H2,1-2H3,(H,21,22,23)
InChIKeyNEPFRBPBHWVXCA-UHFFFAOYSA-N
MW338.46 g/mol
LogP2.99
Rot. Bonds5

About 1-(4-benzylpiperidin-1-yl)-2-[(2,6-dimethylpyrimidin-4-yl)amino]ethanone

1-(4-benzylpiperidin-1-yl)-2-[(2,6-dimethylpyrimidin-4-yl)amino]ethanone (PubChem CID 133342486) has the molecular formula C20H26N4O and a molecular weight of 338.46 g/mol. Its IUPAC name is 1-(4-benzylpiperidin-1-yl)-2-[(2,6-dimethylpyrimidin-4-yl)amino]ethanone.

Molecular Properties

Compound Name1-(4-benzylpiperidin-1-yl)-2-[(2,6-dimethylpyrimidin-4-yl)amino]ethanone
PubChem CID133342486
Molecular FormulaC20H26N4O
Molecular Weight338.46 g/mol
Exact Mass338.21
IUPAC Name1-(4-benzylpiperidin-1-yl)-2-[(2,6-dimethylpyrimidin-4-yl)amino]ethanone
SMILESCc1cc(NCC(=O)N2CCC(Cc3ccccc3)CC2)nc(C)n1
InChIInChI=1S/C20H26N4O/c1-15-12-19(23-16(2)22-15)21-14-20(25)24-10-8-18(9-11-24)13-17-6-4-3-5-7-17/h3-7,12,18H,8-11,13-14H2,1-2H3,(H,21,22,23)
InChIKeyNEPFRBPBHWVXCA-UHFFFAOYSA-N
XLogP2.99
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-benzylpiperidin-1-yl)-2-[(6-chloro-2-methylpyrimidin-4-yl)amino]ethanone
CID 133342559
1-(4-benzylpiperidin-1-yl)-2-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethanone
CID 39081904
1-(4-benzylpiperidin-1-yl)-2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethanone
CID 133342576
5-[[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]amino]pyrazine-2-carboxylic acid
CID 122048849
1-(4-benzylpiperidin-1-yl)-2-[[6-(trifluoromethyl)-2-pyridinyl]amino]ethanone
CID 133342535
(4-benzylpiperidin-1-yl)-[2-methyl-6-(prop-2-enylamino)pyrimidin-4-yl]methanone
CID 109361237
1-(4-benzylpiperidin-1-yl)-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)amino]ethanone
CID 133342561
1-(4-benzylpiperidin-1-yl)-2-[(3-methylphenyl)methylamino]ethanone
CID 108996770
2-amino-N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]acetamide
CID 60848653
3-(4-benzylpiperidin-1-yl)-3-oxo-N-propan-2-ylpropanamide
CID 108940852
1-(4-benzylpiperidin-1-yl)-2-(quinolin-8-ylamino)ethanone
CID 109006353
1-[4-[[2-methyl-6-(methylamino)pyrimidin-4-yl]methyl]piperidin-1-yl]-3-phenylpropan-1-one
CID 92638098

Frequently Asked Questions

What is the IUPAC name of 1-(4-benzylpiperidin-1-yl)-2-[(2,6-dimethylpyrimidin-4-yl)amino]ethanone?
The IUPAC name of 1-(4-benzylpiperidin-1-yl)-2-[(2,6-dimethylpyrimidin-4-yl)amino]ethanone (CID 133342486) is 1-(4-benzylpiperidin-1-yl)-2-[(2,6-dimethylpyrimidin-4-yl)amino]ethanone.
What is the SMILES notation for 1-(4-benzylpiperidin-1-yl)-2-[(2,6-dimethylpyrimidin-4-yl)amino]ethanone?
The canonical SMILES for 1-(4-benzylpiperidin-1-yl)-2-[(2,6-dimethylpyrimidin-4-yl)amino]ethanone is Cc1cc(NCC(=O)N2CCC(Cc3ccccc3)CC2)nc(C)n1.
What is the InChIKey of 1-(4-benzylpiperidin-1-yl)-2-[(2,6-dimethylpyrimidin-4-yl)amino]ethanone?
The InChIKey is NEPFRBPBHWVXCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c1-15-12-19(23-16(2)22-15)21-14-20(25)24-10-8-18(9-11-24)13-17-6-4-3-5-7-17/h3-7,12,18H,8-11,13-14H2,1-2H3,(H,21,22,23).
What are the key properties of 1-(4-benzylpiperidin-1-yl)-2-[(2,6-dimethylpyrimidin-4-yl)amino]ethanone?
1-(4-benzylpiperidin-1-yl)-2-[(2,6-dimethylpyrimidin-4-yl)amino]ethanone has a molecular weight of 338.46 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzylpiperidin-1-yl)-2-[(2,6-dimethylpyrimidin-4-yl)amino]ethanone is sourced from PubChem (CID 133342486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).