N-(2-methoxyethyl)-2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]acetamide

C15H25N5O2 — CID 53189344

IUPACN-(2-methoxyethyl)-2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]acetamide
SMILESCNc1nccc(N2CCC(CC(=O)NCCOC)CC2)n1
InChIInChI=1S/C15H25N5O2/c1-16-15-18-6-3-13(19-15)20-8-4-12(5-9-20)11-14(21)17-7-10-22-2/h3,6,12H,4-5,7-11H2,1-2H3,(H,17,21)(H,16,18,19)
InChIKeyJBZCGPOWYRJOCU-UHFFFAOYSA-N
MW307.40 g/mol
LogP0.89
Rot. Bonds7

About N-(2-methoxyethyl)-2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]acetamide

N-(2-methoxyethyl)-2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]acetamide (PubChem CID 53189344) has the molecular formula C15H25N5O2 and a molecular weight of 307.40 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]acetamide
PubChem CID53189344
Molecular FormulaC15H25N5O2
Molecular Weight307.40 g/mol
Exact Mass307.20
IUPAC NameN-(2-methoxyethyl)-2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]acetamide
SMILESCNc1nccc(N2CCC(CC(=O)NCCOC)CC2)n1
InChIInChI=1S/C15H25N5O2/c1-16-15-18-6-3-13(19-15)20-8-4-12(5-9-20)11-14(21)17-7-10-22-2/h3,6,12H,4-5,7-11H2,1-2H3,(H,17,21)(H,16,18,19)
InChIKeyJBZCGPOWYRJOCU-UHFFFAOYSA-N
XLogP0.89
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopropyl-1-(pyrimidin-2-yl)piperidine-4-carboxamide
CID 17590602
[(1-Pyrimidin-2-yl-piperidine-3-carbonyl)-amino]-acetic acid ethyl ester
CID 644802
N-(2-methoxyethyl)-1-(pyrimidin-2-yl)piperidine-3-carboxamide
CID 645990
(4S)-3-[2-[[(1S)-1-[1-(cyclohexanecarbonyl)piperidin-4-yl]ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 89479289
N-(3-methoxypropyl)-1-(pyrimidin-2-yl)piperidine-4-carboxamide
CID 651470
2-{1-[2-(Methylamino)pyrimidin-4-YL]piperidin-4-YL}-N-(3-methylbutyl)acetamide
CID 53189388
Tert-butyl 4-[[(2-aminopyrimidin-4-yl)amino]methyl]piperidine-1-carboxylate
CID 49857007
(4S)-3-[2-[[(1S)-1-[1-(oxane-4-carbonyl)piperidin-4-yl]ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 89479006
1-Pyrimidin-2-yl-piperidine-3-carboxylic acid (tetrahydro-furan-2-ylmethyl)-amide
CID 648367
N-(cyclohexylmethyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 3223371
N-Ethyl-1-(pyrimidin-2-yl)piperidine-4-carboxamide
CID 3224207
1-(2-amino-6-morpholin-4-ylpyrimidin-4-yl)-N-[3-(dimethylamino)-2,2-dimethylpropyl]piperidine-4-carboxamide
CID 44586348

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]acetamide?
The IUPAC name of N-(2-methoxyethyl)-2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]acetamide (CID 53189344) is N-(2-methoxyethyl)-2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]acetamide.
What is the SMILES notation for N-(2-methoxyethyl)-2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]acetamide?
The canonical SMILES for N-(2-methoxyethyl)-2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]acetamide is CNc1nccc(N2CCC(CC(=O)NCCOC)CC2)n1.
What is the InChIKey of N-(2-methoxyethyl)-2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]acetamide?
The InChIKey is JBZCGPOWYRJOCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O2/c1-16-15-18-6-3-13(19-15)20-8-4-12(5-9-20)11-14(21)17-7-10-22-2/h3,6,12H,4-5,7-11H2,1-2H3,(H,17,21)(H,16,18,19).
What are the key properties of N-(2-methoxyethyl)-2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]acetamide?
N-(2-methoxyethyl)-2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]acetamide has a molecular weight of 307.40 g/mol, XLogP of 0.89, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]acetamide is sourced from PubChem (CID 53189344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).