1-[3-[[4-[methyl(pyrimidin-4-yl)amino]piperidin-1-yl]methyl]piperidin-1-yl]ethanone

C18H29N5O — CID 126889048

IUPAC1-[3-[[4-[methyl(pyrimidin-4-yl)amino]piperidin-1-yl]methyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCCC(CN2CCC(N(C)c3ccncn3)CC2)C1
InChIInChI=1S/C18H29N5O/c1-15(24)23-9-3-4-16(13-23)12-22-10-6-17(7-11-22)21(2)18-5-8-19-14-20-18/h5,8,14,16-17H,3-4,6-7,9-13H2,1-2H3
InChIKeyNADOKUFTHKTEEC-UHFFFAOYSA-N
MW331.46 g/mol
LogP1.64
Rot. Bonds4

About 1-[3-[[4-[methyl(pyrimidin-4-yl)amino]piperidin-1-yl]methyl]piperidin-1-yl]ethanone

1-[3-[[4-[methyl(pyrimidin-4-yl)amino]piperidin-1-yl]methyl]piperidin-1-yl]ethanone (PubChem CID 126889048) has the molecular formula C18H29N5O and a molecular weight of 331.46 g/mol. Its IUPAC name is 1-[3-[[4-[methyl(pyrimidin-4-yl)amino]piperidin-1-yl]methyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[3-[[4-[methyl(pyrimidin-4-yl)amino]piperidin-1-yl]methyl]piperidin-1-yl]ethanone
PubChem CID126889048
Molecular FormulaC18H29N5O
Molecular Weight331.46 g/mol
Exact Mass331.24
IUPAC Name1-[3-[[4-[methyl(pyrimidin-4-yl)amino]piperidin-1-yl]methyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCCC(CN2CCC(N(C)c3ccncn3)CC2)C1
InChIInChI=1S/C18H29N5O/c1-15(24)23-9-3-4-16(13-23)12-22-10-6-17(7-11-22)21(2)18-5-8-19-14-20-18/h5,8,14,16-17H,3-4,6-7,9-13H2,1-2H3
InChIKeyNADOKUFTHKTEEC-UHFFFAOYSA-N
XLogP1.64
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[1-[(1-acetylpiperidin-3-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one
CID 126944972
1-[3-[(4-pyridin-2-ylpiperidin-1-yl)methyl]piperidin-1-yl]ethanone
CID 54259387
7-[[4-[methyl(pyrimidin-4-yl)amino]piperidin-1-yl]methyl]azepan-2-one
CID 126888935
1-[3-[[4-(4-pyrrolidin-1-ylquinazolin-6-yl)piperazin-1-yl]methyl]piperidin-1-yl]ethanone
CID 126896189
N-[1-[(3-fluoro-4-pyridinyl)methyl]pyrrolidin-3-yl]-N-methylpyrimidin-4-amine
CID 171995236
3-[[1-[(1-acetylpiperidin-3-yl)methyl]piperidin-4-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-one
CID 126943661
1-[3-[[4-(4-cyclobutyloxyquinazolin-6-yl)piperazin-1-yl]methyl]piperidin-1-yl]ethanone
CID 126895414
(1-methylpyrazol-3-yl)-[4-[methyl(pyrimidin-4-yl)amino]piperidin-1-yl]methanone
CID 171335788
1-[3-[2-[2-(dimethylamino)-4-pyridinyl]ethyl]piperidin-1-yl]ethanone
CID 110269115
N-methyl-N-[1-[2-(3-methylimidazol-4-yl)ethyl]piperidin-4-yl]pyrimidin-4-amine
CID 126889018
N-[1-[(2,4-dichlorophenyl)methyl]pyrrolidin-3-yl]-N-methylpyrimidin-4-amine
CID 171998300
1-[3-(pyridin-2-ylmethyl)piperidin-1-yl]ethanone
CID 110254207

Frequently Asked Questions

What is the IUPAC name of 1-[3-[[4-[methyl(pyrimidin-4-yl)amino]piperidin-1-yl]methyl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[3-[[4-[methyl(pyrimidin-4-yl)amino]piperidin-1-yl]methyl]piperidin-1-yl]ethanone (CID 126889048) is 1-[3-[[4-[methyl(pyrimidin-4-yl)amino]piperidin-1-yl]methyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[3-[[4-[methyl(pyrimidin-4-yl)amino]piperidin-1-yl]methyl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[3-[[4-[methyl(pyrimidin-4-yl)amino]piperidin-1-yl]methyl]piperidin-1-yl]ethanone is CC(=O)N1CCCC(CN2CCC(N(C)c3ccncn3)CC2)C1.
What is the InChIKey of 1-[3-[[4-[methyl(pyrimidin-4-yl)amino]piperidin-1-yl]methyl]piperidin-1-yl]ethanone?
The InChIKey is NADOKUFTHKTEEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O/c1-15(24)23-9-3-4-16(13-23)12-22-10-6-17(7-11-22)21(2)18-5-8-19-14-20-18/h5,8,14,16-17H,3-4,6-7,9-13H2,1-2H3.
What are the key properties of 1-[3-[[4-[methyl(pyrimidin-4-yl)amino]piperidin-1-yl]methyl]piperidin-1-yl]ethanone?
1-[3-[[4-[methyl(pyrimidin-4-yl)amino]piperidin-1-yl]methyl]piperidin-1-yl]ethanone has a molecular weight of 331.46 g/mol, XLogP of 1.64, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[4-[methyl(pyrimidin-4-yl)amino]piperidin-1-yl]methyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 126889048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).