2-methyl-N-[1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperidin-3-yl]propanamide

C17H28N4O — CID 133354611

IUPAC2-methyl-N-[1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperidin-3-yl]propanamide
SMILESCc1cc(N2CCCC(NC(=O)C(C)C)C2)nc(C(C)C)n1
InChIInChI=1S/C17H28N4O/c1-11(2)16-18-13(5)9-15(20-16)21-8-6-7-14(10-21)19-17(22)12(3)4/h9,11-12,14H,6-8,10H2,1-5H3,(H,19,22)
InChIKeyKVOLCOHPALIFHD-UHFFFAOYSA-N
MW304.44 g/mol
LogP2.65
Rot. Bonds4

About 2-methyl-N-[1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperidin-3-yl]propanamide

2-methyl-N-[1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperidin-3-yl]propanamide (PubChem CID 133354611) has the molecular formula C17H28N4O and a molecular weight of 304.44 g/mol. Its IUPAC name is 2-methyl-N-[1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperidin-3-yl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperidin-3-yl]propanamide
PubChem CID133354611
Molecular FormulaC17H28N4O
Molecular Weight304.44 g/mol
Exact Mass304.23
IUPAC Name2-methyl-N-[1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperidin-3-yl]propanamide
SMILESCc1cc(N2CCCC(NC(=O)C(C)C)C2)nc(C(C)C)n1
InChIInChI=1S/C17H28N4O/c1-11(2)16-18-13(5)9-15(20-16)21-8-6-7-14(10-21)19-17(22)12(3)4/h9,11-12,14H,6-8,10H2,1-5H3,(H,19,22)
InChIKeyKVOLCOHPALIFHD-UHFFFAOYSA-N
XLogP2.65
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]propanamide
CID 133354661
ethyl 1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperidine-3-carboxylate
CID 60651536
methyl 1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)pyrrolidine-3-carboxylate
CID 112731117
N-[1-(6-chloro-2-propan-2-ylpyrimidin-4-yl)pyrrolidin-3-yl]acetamide
CID 113402560
N-cyclopentyl-3-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]propanamide
CID 55988447
4-(3-bromopyrrolidin-1-yl)-6-methyl-2-propan-2-ylpyrimidine
CID 80667644
2-methyl-N-[(3R)-1-(6-propan-2-yloxypyrazin-2-yl)piperidin-3-yl]propanamide
CID 99600977
2-methyl-N-[1-(3-methyl-5-nitro-2-pyridinyl)piperidin-3-yl]propanamide
CID 133354655
1-(2,6-dimethylpyrimidin-4-yl)-N-methylpiperidin-3-amine
CID 62547071
N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-3-yl]-1-methylpyrazole-4-carboxamide
CID 171993320
4-[[1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperidin-3-yl]methyl]morpholine
CID 133322391
methyl 2-[methyl-[1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]amino]acetate
CID 84585847

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperidin-3-yl]propanamide?
The IUPAC name of 2-methyl-N-[1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperidin-3-yl]propanamide (CID 133354611) is 2-methyl-N-[1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperidin-3-yl]propanamide.
What is the SMILES notation for 2-methyl-N-[1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperidin-3-yl]propanamide?
The canonical SMILES for 2-methyl-N-[1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperidin-3-yl]propanamide is Cc1cc(N2CCCC(NC(=O)C(C)C)C2)nc(C(C)C)n1.
What is the InChIKey of 2-methyl-N-[1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperidin-3-yl]propanamide?
The InChIKey is KVOLCOHPALIFHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O/c1-11(2)16-18-13(5)9-15(20-16)21-8-6-7-14(10-21)19-17(22)12(3)4/h9,11-12,14H,6-8,10H2,1-5H3,(H,19,22).
What are the key properties of 2-methyl-N-[1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperidin-3-yl]propanamide?
2-methyl-N-[1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperidin-3-yl]propanamide has a molecular weight of 304.44 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperidin-3-yl]propanamide is sourced from PubChem (CID 133354611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).