1-(4-benzylpiperidin-1-yl)-2-[(6-chloro-2-methylpyrimidin-4-yl)amino]ethanone

C19H23ClN4O — CID 133342559

IUPAC1-(4-benzylpiperidin-1-yl)-2-[(6-chloro-2-methylpyrimidin-4-yl)amino]ethanone
SMILESCc1nc(Cl)cc(NCC(=O)N2CCC(Cc3ccccc3)CC2)n1
InChIInChI=1S/C19H23ClN4O/c1-14-22-17(20)12-18(23-14)21-13-19(25)24-9-7-16(8-10-24)11-15-5-3-2-4-6-15/h2-6,12,16H,7-11,13H2,1H3,(H,21,22,23)
InChIKeyBEIAKUAXOQKISP-UHFFFAOYSA-N
MW358.87 g/mol
LogP3.33
Rot. Bonds5

About 1-(4-benzylpiperidin-1-yl)-2-[(6-chloro-2-methylpyrimidin-4-yl)amino]ethanone

1-(4-benzylpiperidin-1-yl)-2-[(6-chloro-2-methylpyrimidin-4-yl)amino]ethanone (PubChem CID 133342559) has the molecular formula C19H23ClN4O and a molecular weight of 358.87 g/mol. Its IUPAC name is 1-(4-benzylpiperidin-1-yl)-2-[(6-chloro-2-methylpyrimidin-4-yl)amino]ethanone.

Molecular Properties

Compound Name1-(4-benzylpiperidin-1-yl)-2-[(6-chloro-2-methylpyrimidin-4-yl)amino]ethanone
PubChem CID133342559
Molecular FormulaC19H23ClN4O
Molecular Weight358.87 g/mol
Exact Mass358.16
IUPAC Name1-(4-benzylpiperidin-1-yl)-2-[(6-chloro-2-methylpyrimidin-4-yl)amino]ethanone
SMILESCc1nc(Cl)cc(NCC(=O)N2CCC(Cc3ccccc3)CC2)n1
InChIInChI=1S/C19H23ClN4O/c1-14-22-17(20)12-18(23-14)21-13-19(25)24-9-7-16(8-10-24)11-15-5-3-2-4-6-15/h2-6,12,16H,7-11,13H2,1H3,(H,21,22,23)
InChIKeyBEIAKUAXOQKISP-UHFFFAOYSA-N
XLogP3.33
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.87
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(4-benzylpiperidin-1-yl)-2-[(6-chloro-2-methylpyrimidin-4-yl)amino]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-benzylpiperidin-1-yl)-2-[(2,6-dimethylpyrimidin-4-yl)amino]ethanone
CID 133342486
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
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
(4-benzylpiperidin-1-yl)-[2-methyl-6-(prop-2-enylamino)pyrimidin-4-yl]methanone
CID 109361237
[2-(4-benzylpiperidin-1-yl)-2-oxoethyl] 2,6-dichloropyridine-4-carboxylate
CID 2358006
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
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-[(6-chloro-2-methylpyrimidin-4-yl)amino]ethanone?
The IUPAC name of 1-(4-benzylpiperidin-1-yl)-2-[(6-chloro-2-methylpyrimidin-4-yl)amino]ethanone (CID 133342559) is 1-(4-benzylpiperidin-1-yl)-2-[(6-chloro-2-methylpyrimidin-4-yl)amino]ethanone.
What is the SMILES notation for 1-(4-benzylpiperidin-1-yl)-2-[(6-chloro-2-methylpyrimidin-4-yl)amino]ethanone?
The canonical SMILES for 1-(4-benzylpiperidin-1-yl)-2-[(6-chloro-2-methylpyrimidin-4-yl)amino]ethanone is Cc1nc(Cl)cc(NCC(=O)N2CCC(Cc3ccccc3)CC2)n1.
What is the InChIKey of 1-(4-benzylpiperidin-1-yl)-2-[(6-chloro-2-methylpyrimidin-4-yl)amino]ethanone?
The InChIKey is BEIAKUAXOQKISP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN4O/c1-14-22-17(20)12-18(23-14)21-13-19(25)24-9-7-16(8-10-24)11-15-5-3-2-4-6-15/h2-6,12,16H,7-11,13H2,1H3,(H,21,22,23).
What are the key properties of 1-(4-benzylpiperidin-1-yl)-2-[(6-chloro-2-methylpyrimidin-4-yl)amino]ethanone?
1-(4-benzylpiperidin-1-yl)-2-[(6-chloro-2-methylpyrimidin-4-yl)amino]ethanone has a molecular weight of 358.87 g/mol, XLogP of 3.33, 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-[(6-chloro-2-methylpyrimidin-4-yl)amino]ethanone is sourced from PubChem (CID 133342559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).