1-methyl-5-[[4-(pyrimidin-4-ylamino)piperidin-1-yl]methyl]piperidin-2-one

C16H25N5O — CID 126887389

IUPAC1-methyl-5-[[4-(pyrimidin-4-ylamino)piperidin-1-yl]methyl]piperidin-2-one
SMILESCN1CC(CN2CCC(Nc3ccncn3)CC2)CCC1=O
InChIInChI=1S/C16H25N5O/c1-20-10-13(2-3-16(20)22)11-21-8-5-14(6-9-21)19-15-4-7-17-12-18-15/h4,7,12-14H,2-3,5-6,8-11H2,1H3,(H,17,18,19)
InChIKeyKZLSFMHVSVOJIL-UHFFFAOYSA-N
MW303.41 g/mol
LogP1.22
Rot. Bonds4

About 1-methyl-5-[[4-(pyrimidin-4-ylamino)piperidin-1-yl]methyl]piperidin-2-one

1-methyl-5-[[4-(pyrimidin-4-ylamino)piperidin-1-yl]methyl]piperidin-2-one (PubChem CID 126887389) has the molecular formula C16H25N5O and a molecular weight of 303.41 g/mol. Its IUPAC name is 1-methyl-5-[[4-(pyrimidin-4-ylamino)piperidin-1-yl]methyl]piperidin-2-one.

Molecular Properties

Compound Name1-methyl-5-[[4-(pyrimidin-4-ylamino)piperidin-1-yl]methyl]piperidin-2-one
PubChem CID126887389
Molecular FormulaC16H25N5O
Molecular Weight303.41 g/mol
Exact Mass303.21
IUPAC Name1-methyl-5-[[4-(pyrimidin-4-ylamino)piperidin-1-yl]methyl]piperidin-2-one
SMILESCN1CC(CN2CCC(Nc3ccncn3)CC2)CCC1=O
InChIInChI=1S/C16H25N5O/c1-20-10-13(2-3-16(20)22)11-21-8-5-14(6-9-21)19-15-4-7-17-12-18-15/h4,7,12-14H,2-3,5-6,8-11H2,1H3,(H,17,18,19)
InChIKeyKZLSFMHVSVOJIL-UHFFFAOYSA-N
XLogP1.22
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-dimethyl-2-[4-(pyrimidin-4-ylamino)piperidin-1-yl]acetamide
CID 144655106
N-[1-[2-(2-methylpyrazol-3-yl)ethyl]piperidin-4-yl]pyrimidin-4-amine
CID 126887360
N-[1-(2-imidazol-1-ylethyl)piperidin-4-yl]pyrimidin-4-amine
CID 126887338
N-[1-[(3-methyltriazol-4-yl)methyl]piperidin-4-yl]pyrimidin-4-amine
CID 126887317
1-methyl-5-[(4-quinazolin-6-ylpiperazin-1-yl)methyl]piperidin-2-one
CID 126894474
5-(5,7-dihydropyrrolo[3,4-d]pyrimidin-6-ylmethyl)-1-methylpiperidin-2-one
CID 121160689
N-[1-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]pyrimidin-4-amine
CID 126887336
5-[[4-[cyclopropyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methyl]-1-methylpiperidin-2-one
CID 126890686
1-methyl-5-[(4-pyrrolidin-1-ylpiperidin-1-yl)methyl]piperidin-2-one
CID 138808378
5-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-1-methylpiperidin-2-one
CID 138810002
N-[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]pyrimidin-4-amine
CID 171994913
cyclopropyl-[4-(pyrimidin-4-ylamino)piperidin-1-yl]methanone
CID 126887079

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[[4-(pyrimidin-4-ylamino)piperidin-1-yl]methyl]piperidin-2-one?
The IUPAC name of 1-methyl-5-[[4-(pyrimidin-4-ylamino)piperidin-1-yl]methyl]piperidin-2-one (CID 126887389) is 1-methyl-5-[[4-(pyrimidin-4-ylamino)piperidin-1-yl]methyl]piperidin-2-one.
What is the SMILES notation for 1-methyl-5-[[4-(pyrimidin-4-ylamino)piperidin-1-yl]methyl]piperidin-2-one?
The canonical SMILES for 1-methyl-5-[[4-(pyrimidin-4-ylamino)piperidin-1-yl]methyl]piperidin-2-one is CN1CC(CN2CCC(Nc3ccncn3)CC2)CCC1=O.
What is the InChIKey of 1-methyl-5-[[4-(pyrimidin-4-ylamino)piperidin-1-yl]methyl]piperidin-2-one?
The InChIKey is KZLSFMHVSVOJIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O/c1-20-10-13(2-3-16(20)22)11-21-8-5-14(6-9-21)19-15-4-7-17-12-18-15/h4,7,12-14H,2-3,5-6,8-11H2,1H3,(H,17,18,19).
What are the key properties of 1-methyl-5-[[4-(pyrimidin-4-ylamino)piperidin-1-yl]methyl]piperidin-2-one?
1-methyl-5-[[4-(pyrimidin-4-ylamino)piperidin-1-yl]methyl]piperidin-2-one has a molecular weight of 303.41 g/mol, XLogP of 1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[[4-(pyrimidin-4-ylamino)piperidin-1-yl]methyl]piperidin-2-one is sourced from PubChem (CID 126887389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).