4-butoxy-N-[2-(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)oxyethyl]benzamide

C23H32N4O3 — CID 90491896

IUPAC4-butoxy-N-[2-(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)oxyethyl]benzamide
SMILESCCCCOc1ccc(C(=O)NCCOc2cc(N3CCCCC3)nc(C)n2)cc1
InChIInChI=1S/C23H32N4O3/c1-3-4-15-29-20-10-8-19(9-11-20)23(28)24-12-16-30-22-17-21(25-18(2)26-22)27-13-6-5-7-14-27/h8-11,17H,3-7,12-16H2,1-2H3,(H,24,28)
InChIKeyBKXCWLFHCMNBTH-UHFFFAOYSA-N
MW412.53 g/mol
LogP3.76
Rot. Bonds10

About 4-butoxy-N-[2-(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)oxyethyl]benzamide

4-butoxy-N-[2-(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)oxyethyl]benzamide (PubChem CID 90491896) has the molecular formula C23H32N4O3 and a molecular weight of 412.53 g/mol. Its IUPAC name is 4-butoxy-N-[2-(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)oxyethyl]benzamide.

Molecular Properties

Compound Name4-butoxy-N-[2-(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)oxyethyl]benzamide
PubChem CID90491896
Molecular FormulaC23H32N4O3
Molecular Weight412.53 g/mol
Exact Mass412.25
IUPAC Name4-butoxy-N-[2-(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)oxyethyl]benzamide
SMILESCCCCOc1ccc(C(=O)NCCOc2cc(N3CCCCC3)nc(C)n2)cc1
InChIInChI=1S/C23H32N4O3/c1-3-4-15-29-20-10-8-19(9-11-20)23(28)24-12-16-30-22-17-21(25-18(2)26-22)27-13-6-5-7-14-27/h8-11,17H,3-7,12-16H2,1-2H3,(H,24,28)
InChIKeyBKXCWLFHCMNBTH-UHFFFAOYSA-N
XLogP3.76
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.53
LogP ≤ 53.76
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

4-acetamido-N-[2-(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)oxyethyl]benzamide
CID 90492069
3-chloro-N-[2-(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)oxyethyl]benzamide
CID 90491961
2,4-dimethoxy-N-[2-(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)oxyethyl]benzamide
CID 90491866
4-(imidazol-1-ylmethyl)-N-[2-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)oxyethyl]benzamide
CID 90492316
2-(4-methoxyphenoxy)-N-[2-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)oxyethyl]acetamide
CID 90492141
(4-butoxyphenyl)-[4-(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 50748457
N-[2-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)oxyethyl]pyridine-2-carboxamide
CID 90492267
2-methoxy-N-[2-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)oxyethyl]benzamide
CID 90492269
2,3-dimethoxy-N-[2-(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)oxyethyl]benzamide
CID 90491865
N-[2-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)oxyethyl]cyclobutanecarboxamide
CID 90492360
2-chloro-6-fluoro-N-[2-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)oxyethyl]benzamide
CID 90492135
2-(3-methylphenyl)-N-[2-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)oxyethyl]acetamide
CID 90492143

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-N-[2-(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)oxyethyl]benzamide?
The IUPAC name of 4-butoxy-N-[2-(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)oxyethyl]benzamide (CID 90491896) is 4-butoxy-N-[2-(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)oxyethyl]benzamide.
What is the SMILES notation for 4-butoxy-N-[2-(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)oxyethyl]benzamide?
The canonical SMILES for 4-butoxy-N-[2-(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)oxyethyl]benzamide is CCCCOc1ccc(C(=O)NCCOc2cc(N3CCCCC3)nc(C)n2)cc1.
What is the InChIKey of 4-butoxy-N-[2-(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)oxyethyl]benzamide?
The InChIKey is BKXCWLFHCMNBTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O3/c1-3-4-15-29-20-10-8-19(9-11-20)23(28)24-12-16-30-22-17-21(25-18(2)26-22)27-13-6-5-7-14-27/h8-11,17H,3-7,12-16H2,1-2H3,(H,24,28).
What are the key properties of 4-butoxy-N-[2-(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)oxyethyl]benzamide?
4-butoxy-N-[2-(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)oxyethyl]benzamide has a molecular weight of 412.53 g/mol, XLogP of 3.76, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-N-[2-(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)oxyethyl]benzamide is sourced from PubChem (CID 90491896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).