2-[4-[methyl-(5-methylpyrimidin-2-yl)amino]piperidin-1-yl]-N-prop-2-enylacetamide

C16H25N5O — CID 171327568

IUPAC2-[4-[methyl-(5-methylpyrimidin-2-yl)amino]piperidin-1-yl]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CN1CCC(N(C)c2ncc(C)cn2)CC1
InChIInChI=1S/C16H25N5O/c1-4-7-17-15(22)12-21-8-5-14(6-9-21)20(3)16-18-10-13(2)11-19-16/h4,10-11,14H,1,5-9,12H2,2-3H3,(H,17,22)
InChIKeyOUXRUBIBEMYEOM-UHFFFAOYSA-N
MW303.41 g/mol
LogP0.99
Rot. Bonds6

About 2-[4-[methyl-(5-methylpyrimidin-2-yl)amino]piperidin-1-yl]-N-prop-2-enylacetamide

2-[4-[methyl-(5-methylpyrimidin-2-yl)amino]piperidin-1-yl]-N-prop-2-enylacetamide (PubChem CID 171327568) has the molecular formula C16H25N5O and a molecular weight of 303.41 g/mol. Its IUPAC name is 2-[4-[methyl-(5-methylpyrimidin-2-yl)amino]piperidin-1-yl]-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-[4-[methyl-(5-methylpyrimidin-2-yl)amino]piperidin-1-yl]-N-prop-2-enylacetamide
PubChem CID171327568
Molecular FormulaC16H25N5O
Molecular Weight303.41 g/mol
Exact Mass303.21
IUPAC Name2-[4-[methyl-(5-methylpyrimidin-2-yl)amino]piperidin-1-yl]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CN1CCC(N(C)c2ncc(C)cn2)CC1
InChIInChI=1S/C16H25N5O/c1-4-7-17-15(22)12-21-8-5-14(6-9-21)20(3)16-18-10-13(2)11-19-16/h4,10-11,14H,1,5-9,12H2,2-3H3,(H,17,22)
InChIKeyOUXRUBIBEMYEOM-UHFFFAOYSA-N
XLogP0.99
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-N-prop-2-enylacetamide
CID 90495494
N,N-dimethyl-6-[1-[2-oxo-2-(prop-2-enylamino)ethyl]piperidin-4-yl]oxypyridine-3-carboxamide
CID 126824333
2-(4-hydroxy-3-methylpiperidin-1-yl)-N-prop-2-enylacetamide
CID 114502335
2-[4-(4-fluorophenyl)piperidin-1-yl]-N-prop-2-enylacetamide
CID 16671888
2-[4-(4-methoxyphenyl)piperidin-1-yl]-N-prop-2-enylacetamide
CID 16667986
N-[1-[2-[cyclohexyl(methyl)amino]-4-methylpyrimidin-5-yl]ethyl]-2-piperidin-1-ylacetamide
CID 45202562
4-[methyl-(5-methylpyrimidin-2-yl)amino]cyclohexan-1-ol
CID 116978157
2-(4-amino-3-methylpiperidin-1-yl)-N-prop-2-enylacetamide;hydrochloride
CID 119925040
N,5-dimethyl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyrimidin-2-amine
CID 171328091
2-[4-(oxolane-2-carbonyl)piperazin-1-yl]-N-prop-2-enylacetamide
CID 78787885
2-[3-(4-methoxyphenyl)pyrrolidin-1-yl]-N-prop-2-enylacetamide
CID 51103994
2-[4-[2-[benzyl(1-cyclopropylethyl)amino]-2-oxoethyl]piperazin-1-yl]-N-prop-2-enylacetamide
CID 42923905

Frequently Asked Questions

What is the IUPAC name of 2-[4-[methyl-(5-methylpyrimidin-2-yl)amino]piperidin-1-yl]-N-prop-2-enylacetamide?
The IUPAC name of 2-[4-[methyl-(5-methylpyrimidin-2-yl)amino]piperidin-1-yl]-N-prop-2-enylacetamide (CID 171327568) is 2-[4-[methyl-(5-methylpyrimidin-2-yl)amino]piperidin-1-yl]-N-prop-2-enylacetamide.
What is the SMILES notation for 2-[4-[methyl-(5-methylpyrimidin-2-yl)amino]piperidin-1-yl]-N-prop-2-enylacetamide?
The canonical SMILES for 2-[4-[methyl-(5-methylpyrimidin-2-yl)amino]piperidin-1-yl]-N-prop-2-enylacetamide is C=CCNC(=O)CN1CCC(N(C)c2ncc(C)cn2)CC1.
What is the InChIKey of 2-[4-[methyl-(5-methylpyrimidin-2-yl)amino]piperidin-1-yl]-N-prop-2-enylacetamide?
The InChIKey is OUXRUBIBEMYEOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O/c1-4-7-17-15(22)12-21-8-5-14(6-9-21)20(3)16-18-10-13(2)11-19-16/h4,10-11,14H,1,5-9,12H2,2-3H3,(H,17,22).
What are the key properties of 2-[4-[methyl-(5-methylpyrimidin-2-yl)amino]piperidin-1-yl]-N-prop-2-enylacetamide?
2-[4-[methyl-(5-methylpyrimidin-2-yl)amino]piperidin-1-yl]-N-prop-2-enylacetamide has a molecular weight of 303.41 g/mol, XLogP of 0.99, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[methyl-(5-methylpyrimidin-2-yl)amino]piperidin-1-yl]-N-prop-2-enylacetamide is sourced from PubChem (CID 171327568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).