N-[4-[[3-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methyl]phenyl]acetamide

C19H25N5O — CID 171996910

IUPACN-[4-[[3-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CN2CCCC(Nc3cc(C)ncn3)C2)cc1
InChIInChI=1S/C19H25N5O/c1-14-10-19(21-13-20-14)23-18-4-3-9-24(12-18)11-16-5-7-17(8-6-16)22-15(2)25/h5-8,10,13,18H,3-4,9,11-12H2,1-2H3,(H,22,25)(H,20,21,23)
InChIKeyRWOURRJAXQFCEH-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.82
Rot. Bonds5

About N-[4-[[3-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methyl]phenyl]acetamide

N-[4-[[3-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methyl]phenyl]acetamide (PubChem CID 171996910) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is N-[4-[[3-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[3-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methyl]phenyl]acetamide
PubChem CID171996910
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC NameN-[4-[[3-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CN2CCCC(Nc3cc(C)ncn3)C2)cc1
InChIInChI=1S/C19H25N5O/c1-14-10-19(21-13-20-14)23-18-4-3-9-24(12-18)11-16-5-7-17(8-6-16)22-15(2)25/h5-8,10,13,18H,3-4,9,11-12H2,1-2H3,(H,22,25)(H,20,21,23)
InChIKeyRWOURRJAXQFCEH-UHFFFAOYSA-N
XLogP2.82
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-methyl-N-[1-[(4-methylphenyl)methyl]piperidin-3-yl]pyrimidin-4-amine
CID 171998278
6-methyl-N-[1-[(3-methylphenyl)methyl]piperidin-3-yl]pyrimidin-4-amine
CID 171998279
N-[1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]piperidin-3-yl]-6-methylpyrimidin-4-amine
CID 172881008
N-[1-(2,2-dimethylpropyl)piperidin-3-yl]-6-methylpyrimidin-4-amine
CID 171994731
6-N-[1-[(4-bromophenyl)methyl]piperidin-3-yl]-4-N,4-N-dimethylpyrimidine-4,6-diamine
CID 171998734
N-[4-[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]sulfonylphenyl]acetamide
CID 171336337
N-[1-[[4-(3,5-dimethylphenyl)phenyl]methyl]piperidin-3-yl]acetamide
CID 134803652
N-[(3S)-1-benzylpiperidin-3-yl]acetamide
CID 58526543
N-(4-acetamidophenyl)-6-(cyclohexylamino)pyrimidine-4-carboxamide
CID 46880877
6-methyl-N-[1-[(2-methyl-3-pyridinyl)methyl]pyrrolidin-3-yl]pyrimidin-4-amine
CID 171995148
N-[4-[[(3S)-3-propoxypiperidin-1-yl]methyl]phenyl]acetamide
CID 95123718
N-[4-[[4-[(2-cyclopropylpyrimidin-4-yl)amino]piperidin-1-yl]methyl]phenyl]acetamide
CID 172902381

Frequently Asked Questions

What is the IUPAC name of N-[4-[[3-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methyl]phenyl]acetamide?
The IUPAC name of N-[4-[[3-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methyl]phenyl]acetamide (CID 171996910) is N-[4-[[3-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[3-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[3-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methyl]phenyl]acetamide is CC(=O)Nc1ccc(CN2CCCC(Nc3cc(C)ncn3)C2)cc1.
What is the InChIKey of N-[4-[[3-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methyl]phenyl]acetamide?
The InChIKey is RWOURRJAXQFCEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O/c1-14-10-19(21-13-20-14)23-18-4-3-9-24(12-18)11-16-5-7-17(8-6-16)22-15(2)25/h5-8,10,13,18H,3-4,9,11-12H2,1-2H3,(H,22,25)(H,20,21,23).
What are the key properties of N-[4-[[3-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methyl]phenyl]acetamide?
N-[4-[[3-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methyl]phenyl]acetamide has a molecular weight of 339.44 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[3-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methyl]phenyl]acetamide is sourced from PubChem (CID 171996910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).