1-(4-ethoxy-6-methylpyrimidin-2-yl)-N-(3-methoxypropyl)piperidine-4-carboxamide

C17H28N4O3 — CID 43817676

IUPAC1-(4-ethoxy-6-methylpyrimidin-2-yl)-N-(3-methoxypropyl)piperidine-4-carboxamide
SMILESCCOc1cc(C)nc(N2CCC(C(=O)NCCCOC)CC2)n1
InChIInChI=1S/C17H28N4O3/c1-4-24-15-12-13(2)19-17(20-15)21-9-6-14(7-10-21)16(22)18-8-5-11-23-3/h12,14H,4-11H2,1-3H3,(H,18,22)
InChIKeyXTLPVTVPEZCZFD-UHFFFAOYSA-N
MW336.44 g/mol
LogP1.55
Rot. Bonds8

About 1-(4-ethoxy-6-methylpyrimidin-2-yl)-N-(3-methoxypropyl)piperidine-4-carboxamide

1-(4-ethoxy-6-methylpyrimidin-2-yl)-N-(3-methoxypropyl)piperidine-4-carboxamide (PubChem CID 43817676) has the molecular formula C17H28N4O3 and a molecular weight of 336.44 g/mol. Its IUPAC name is 1-(4-ethoxy-6-methylpyrimidin-2-yl)-N-(3-methoxypropyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-ethoxy-6-methylpyrimidin-2-yl)-N-(3-methoxypropyl)piperidine-4-carboxamide
PubChem CID43817676
Molecular FormulaC17H28N4O3
Molecular Weight336.44 g/mol
Exact Mass336.22
IUPAC Name1-(4-ethoxy-6-methylpyrimidin-2-yl)-N-(3-methoxypropyl)piperidine-4-carboxamide
SMILESCCOc1cc(C)nc(N2CCC(C(=O)NCCCOC)CC2)n1
InChIInChI=1S/C17H28N4O3/c1-4-24-15-12-13(2)19-17(20-15)21-9-6-14(7-10-21)16(22)18-8-5-11-23-3/h12,14H,4-11H2,1-3H3,(H,18,22)
InChIKeyXTLPVTVPEZCZFD-UHFFFAOYSA-N
XLogP1.55
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-(4-methoxy-6-methylpyrimidin-2-yl)-N-(2-methylpropyl)piperidine-3-carboxamide
CID 3228706
1-(4-Methoxy-6-methyl-pyrimidin-2-yl)-piperidine-4-carboxylic acid amide
CID 649678
1-(4-Methoxy-6-methyl-pyrimidin-2-yl)-piperidine-3-carboxylic acid (4-methyl-cyclohexyl)-amide
CID 649779
1-(4-Methoxy-6-methyl-pyrimidin-2-yl)-piperidine-3-carboxylic acid sec-butylamide
CID 3228704
1-(4-Methoxy-6-methyl-pyrimidin-2-yl)-piperidine-4-carboxylic acid (tetrahydro-furan-2-ylmethyl)-amide
CID 24981339
2-Pyrimidinamine, 4-methyl-N-(1-methylethyl)-6-(2-methylpropoxy)-
CID 56843735
1-(4-Methoxy-6-methyl-pyrimidin-2-yl)-piperidine-4-carboxylic acid cyclohexylamide
CID 645094
1-(4-Ethoxy-6-methyl-pyrimidin-2-yl)-piperidine-4-carboxylic acid (tetrahydro-furan-2-ylmethyl)-amide
CID 42628126
1-(4-Ethoxy-6-methyl-pyrimidin-2-yl)-piperidine-4-carboxylic acid cyclopropylamide
CID 42628171
N-[1-[4-(4-ethoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]-1-oxopropan-2-yl]acetamide
CID 53580426
2-[Cyclopropyl(methyl)amino]-1-[4-(4-ethoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]ethanone
CID 53588424
1-[4-(4-Ethoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]propan-1-one
CID 53609919

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxy-6-methylpyrimidin-2-yl)-N-(3-methoxypropyl)piperidine-4-carboxamide?
The IUPAC name of 1-(4-ethoxy-6-methylpyrimidin-2-yl)-N-(3-methoxypropyl)piperidine-4-carboxamide (CID 43817676) is 1-(4-ethoxy-6-methylpyrimidin-2-yl)-N-(3-methoxypropyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-ethoxy-6-methylpyrimidin-2-yl)-N-(3-methoxypropyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(4-ethoxy-6-methylpyrimidin-2-yl)-N-(3-methoxypropyl)piperidine-4-carboxamide is CCOc1cc(C)nc(N2CCC(C(=O)NCCCOC)CC2)n1.
What is the InChIKey of 1-(4-ethoxy-6-methylpyrimidin-2-yl)-N-(3-methoxypropyl)piperidine-4-carboxamide?
The InChIKey is XTLPVTVPEZCZFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O3/c1-4-24-15-12-13(2)19-17(20-15)21-9-6-14(7-10-21)16(22)18-8-5-11-23-3/h12,14H,4-11H2,1-3H3,(H,18,22).
What are the key properties of 1-(4-ethoxy-6-methylpyrimidin-2-yl)-N-(3-methoxypropyl)piperidine-4-carboxamide?
1-(4-ethoxy-6-methylpyrimidin-2-yl)-N-(3-methoxypropyl)piperidine-4-carboxamide has a molecular weight of 336.44 g/mol, XLogP of 1.55, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxy-6-methylpyrimidin-2-yl)-N-(3-methoxypropyl)piperidine-4-carboxamide is sourced from PubChem (CID 43817676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).