5-[[4-[(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]methyl]piperidin-2-one

C16H25N5O2 — CID 126888240

IUPAC5-[[4-[(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]methyl]piperidin-2-one
SMILESCOc1cc(NC2CCN(CC3CCC(=O)NC3)CC2)ncn1
InChIInChI=1S/C16H25N5O2/c1-23-16-8-14(18-11-19-16)20-13-4-6-21(7-5-13)10-12-2-3-15(22)17-9-12/h8,11-13H,2-7,9-10H2,1H3,(H,17,22)(H,18,19,20)
InChIKeyAIPMSGUPNSOZJP-UHFFFAOYSA-N
MW319.41 g/mol
LogP0.89
Rot. Bonds5

About 5-[[4-[(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]methyl]piperidin-2-one

5-[[4-[(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]methyl]piperidin-2-one (PubChem CID 126888240) has the molecular formula C16H25N5O2 and a molecular weight of 319.41 g/mol. Its IUPAC name is 5-[[4-[(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]methyl]piperidin-2-one.

Molecular Properties

Compound Name5-[[4-[(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]methyl]piperidin-2-one
PubChem CID126888240
Molecular FormulaC16H25N5O2
Molecular Weight319.41 g/mol
Exact Mass319.20
IUPAC Name5-[[4-[(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]methyl]piperidin-2-one
SMILESCOc1cc(NC2CCN(CC3CCC(=O)NC3)CC2)ncn1
InChIInChI=1S/C16H25N5O2/c1-23-16-8-14(18-11-19-16)20-13-4-6-21(7-5-13)10-12-2-3-15(22)17-9-12/h8,11-13H,2-7,9-10H2,1H3,(H,17,22)(H,18,19,20)
InChIKeyAIPMSGUPNSOZJP-UHFFFAOYSA-N
XLogP0.89
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-[[4-[(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]methyl]piperidin-2-one with MolForge

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Related Compounds

N-[1-(cyclopentylmethyl)piperidin-4-yl]-6-ethoxypyrimidin-4-amine
CID 133490645
1-[2-[4-[(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]ethyl]piperidin-2-one
CID 126888227
N-(1-but-2-ynylpiperidin-4-yl)-6-methoxypyrimidin-4-amine
CID 165432113
3-[4-[(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]pyrrolidin-2-one
CID 126888237
N-(azetidin-3-yl)-6-methoxypyrimidin-4-amine
CID 66319421
6-methoxy-N-(1-pyrimidin-2-ylpiperidin-4-yl)pyrimidin-4-amine
CID 126888036
6-methoxy-N-[1-[(2-methyltriazol-4-yl)methyl]piperidin-4-yl]pyrimidin-4-amine
CID 126888112
4-N-(6-methoxypyrimidin-4-yl)cyclohexane-1,4-diamine
CID 66318521
6-methoxy-N-piperidin-4-ylpyrimidin-4-amine
CID 66319414
N-[1-(cyclobutylmethyl)piperidin-4-yl]-6-methylpyrimidin-4-amine
CID 126887813
6-methoxy-N-[1-(1,3,4-oxadiazol-2-ylmethyl)piperidin-4-yl]pyrimidin-4-amine
CID 126888167
6-methoxy-N-[1-(1,2,5-oxadiazol-3-ylmethyl)piperidin-4-yl]pyrimidin-4-amine
CID 126888157

Frequently Asked Questions

What is the IUPAC name of 5-[[4-[(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]methyl]piperidin-2-one?
The IUPAC name of 5-[[4-[(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]methyl]piperidin-2-one (CID 126888240) is 5-[[4-[(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]methyl]piperidin-2-one.
What is the SMILES notation for 5-[[4-[(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]methyl]piperidin-2-one?
The canonical SMILES for 5-[[4-[(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]methyl]piperidin-2-one is COc1cc(NC2CCN(CC3CCC(=O)NC3)CC2)ncn1.
What is the InChIKey of 5-[[4-[(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]methyl]piperidin-2-one?
The InChIKey is AIPMSGUPNSOZJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O2/c1-23-16-8-14(18-11-19-16)20-13-4-6-21(7-5-13)10-12-2-3-15(22)17-9-12/h8,11-13H,2-7,9-10H2,1H3,(H,17,22)(H,18,19,20).
What are the key properties of 5-[[4-[(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]methyl]piperidin-2-one?
5-[[4-[(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]methyl]piperidin-2-one has a molecular weight of 319.41 g/mol, XLogP of 0.89, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]methyl]piperidin-2-one is sourced from PubChem (CID 126888240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).