N-[1-[4-(dimethylamino)pyrimidin-2-yl]piperidin-4-yl]-2,2-dimethylpropanamide

C16H27N5O — CID 163350937

IUPACN-[1-[4-(dimethylamino)pyrimidin-2-yl]piperidin-4-yl]-2,2-dimethylpropanamide
SMILESCN(C)c1ccnc(N2CCC(NC(=O)C(C)(C)C)CC2)n1
InChIInChI=1S/C16H27N5O/c1-16(2,3)14(22)18-12-7-10-21(11-8-12)15-17-9-6-13(19-15)20(4)5/h6,9,12H,7-8,10-11H2,1-5H3,(H,18,22)
InChIKeyHVTAOWPBWCLLMP-UHFFFAOYSA-N
MW305.43 g/mol
LogP1.67
Rot. Bonds3

About N-[1-[4-(dimethylamino)pyrimidin-2-yl]piperidin-4-yl]-2,2-dimethylpropanamide

N-[1-[4-(dimethylamino)pyrimidin-2-yl]piperidin-4-yl]-2,2-dimethylpropanamide (PubChem CID 163350937) has the molecular formula C16H27N5O and a molecular weight of 305.43 g/mol. Its IUPAC name is N-[1-[4-(dimethylamino)pyrimidin-2-yl]piperidin-4-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[1-[4-(dimethylamino)pyrimidin-2-yl]piperidin-4-yl]-2,2-dimethylpropanamide
PubChem CID163350937
Molecular FormulaC16H27N5O
Molecular Weight305.43 g/mol
Exact Mass305.22
IUPAC NameN-[1-[4-(dimethylamino)pyrimidin-2-yl]piperidin-4-yl]-2,2-dimethylpropanamide
SMILESCN(C)c1ccnc(N2CCC(NC(=O)C(C)(C)C)CC2)n1
InChIInChI=1S/C16H27N5O/c1-16(2,3)14(22)18-12-7-10-21(11-8-12)15-17-9-6-13(19-15)20(4)5/h6,9,12H,7-8,10-11H2,1-5H3,(H,18,22)
InChIKeyHVTAOWPBWCLLMP-UHFFFAOYSA-N
XLogP1.67
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.43
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[4-(dimethylamino)pyrimidin-2-yl]piperidin-4-yl]-1-methylpyrazole-3-carboxamide
CID 171993681
1-[1-[4-(dimethylamino)pyrimidin-2-yl]piperidin-4-yl]-1,3,3-trimethylurea
CID 166603397
N-cyclopropyl-4-[4-(dimethylamino)pyrimidin-2-yl]morpholine-2-carboxamide
CID 163352589
ethyl 1-[4-(dimethylamino)pyrimidin-2-yl]piperidine-4-carboxylate
CID 133365954
[1-[4-(dimethylamino)pyrimidin-2-yl]piperidin-4-yl]-thiomorpholin-4-ylmethanone
CID 163357851
2,2-dimethyl-N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]propanamide
CID 163357546
2-amino-2-methyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)propanamide
CID 61265591
1-[1-[4-(dimethylamino)pyrimidin-2-yl]piperidin-4-yl]pyrrolidin-2-one
CID 126899370
N-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-4-yl]-2,2-dimethylpropanamide
CID 163348983
N-[1-[4-[4-(dimethylamino)phenyl]pyrimidin-2-yl]piperidin-4-yl]acetamide
CID 162626102
(4,4-difluoropiperidin-1-yl)-[1-[4-(dimethylamino)pyrimidin-2-yl]piperidin-4-yl]methanone
CID 163345847
N-[[1-[4-(dimethylamino)pyrimidin-2-yl]piperidin-4-yl]methyl]-N-methylcyclobutanecarboxamide
CID 171335629

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(dimethylamino)pyrimidin-2-yl]piperidin-4-yl]-2,2-dimethylpropanamide?
The IUPAC name of N-[1-[4-(dimethylamino)pyrimidin-2-yl]piperidin-4-yl]-2,2-dimethylpropanamide (CID 163350937) is N-[1-[4-(dimethylamino)pyrimidin-2-yl]piperidin-4-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[1-[4-(dimethylamino)pyrimidin-2-yl]piperidin-4-yl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[1-[4-(dimethylamino)pyrimidin-2-yl]piperidin-4-yl]-2,2-dimethylpropanamide is CN(C)c1ccnc(N2CCC(NC(=O)C(C)(C)C)CC2)n1.
What is the InChIKey of N-[1-[4-(dimethylamino)pyrimidin-2-yl]piperidin-4-yl]-2,2-dimethylpropanamide?
The InChIKey is HVTAOWPBWCLLMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5O/c1-16(2,3)14(22)18-12-7-10-21(11-8-12)15-17-9-6-13(19-15)20(4)5/h6,9,12H,7-8,10-11H2,1-5H3,(H,18,22).
What are the key properties of N-[1-[4-(dimethylamino)pyrimidin-2-yl]piperidin-4-yl]-2,2-dimethylpropanamide?
N-[1-[4-(dimethylamino)pyrimidin-2-yl]piperidin-4-yl]-2,2-dimethylpropanamide has a molecular weight of 305.43 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(dimethylamino)pyrimidin-2-yl]piperidin-4-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 163350937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).