4-(N-[1-(2-cyclopropylethyl)piperidin-4-yl]-3-hydroxyanilino)-N,N-diethylbenzamide

C27H37N3O2 — CID 45486032

IUPAC4-(N-[1-(2-cyclopropylethyl)piperidin-4-yl]-3-hydroxyanilino)-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1ccc(N(c2cccc(O)c2)C2CCN(CCC3CC3)CC2)cc1
InChIInChI=1S/C27H37N3O2/c1-3-29(4-2)27(32)22-10-12-23(13-11-22)30(25-6-5-7-26(31)20-25)24-15-18-28(19-16-24)17-14-21-8-9-21/h5-7,10-13,20-21,24,31H,3-4,8-9,14-19H2,1-2H3
InChIKeyKOPUPIPJZYWCGV-UHFFFAOYSA-N
MW435.61 g/mol
LogP5.28
Rot. Bonds9

About 4-(N-[1-(2-cyclopropylethyl)piperidin-4-yl]-3-hydroxyanilino)-N,N-diethylbenzamide

4-(N-[1-(2-cyclopropylethyl)piperidin-4-yl]-3-hydroxyanilino)-N,N-diethylbenzamide (PubChem CID 45486032) has the molecular formula C27H37N3O2 and a molecular weight of 435.61 g/mol. Its IUPAC name is 4-(N-[1-(2-cyclopropylethyl)piperidin-4-yl]-3-hydroxyanilino)-N,N-diethylbenzamide.

Molecular Properties

Compound Name4-(N-[1-(2-cyclopropylethyl)piperidin-4-yl]-3-hydroxyanilino)-N,N-diethylbenzamide
PubChem CID45486032
Molecular FormulaC27H37N3O2
Molecular Weight435.61 g/mol
Exact Mass435.29
IUPAC Name4-(N-[1-(2-cyclopropylethyl)piperidin-4-yl]-3-hydroxyanilino)-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1ccc(N(c2cccc(O)c2)C2CCN(CCC3CC3)CC2)cc1
InChIInChI=1S/C27H37N3O2/c1-3-29(4-2)27(32)22-10-12-23(13-11-22)30(25-6-5-7-26(31)20-25)24-15-18-28(19-16-24)17-14-21-8-9-21/h5-7,10-13,20-21,24,31H,3-4,8-9,14-19H2,1-2H3
InChIKeyKOPUPIPJZYWCGV-UHFFFAOYSA-N
XLogP5.28
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.61
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-((1-benzylpiperidin-4-yl)(3-hydroxyphenyl)amino)-N,N-diethylbenzamide
CID 9911987
N,N-diethyl-4-((3-hydroxyphenyl)(1-(2-(thiophen-3-yl)ethyl)piperidin-4-yl)amino)benzamide
CID 45486046
N,N-diethyl-4-((3-hydroxyphenyl)(1-methylpiperidin-4-yl)amino)benzamide
CID 45485826
N,N-diethyl-4-((1-(2-fluorophenethyl)piperidin-4-yl)(3-hydroxyphenyl)amino)benzamide
CID 45486011
N,N-diethyl-4-((1-(3-fluorophenethyl)piperidin-4-yl)(3-hydroxyphenyl)amino)benzamide
CID 45486035
N,N-diethyl-4-((1-(2-(furan-3-yl)ethyl)piperidin-4-yl)(3-hydroxyphenyl)amino)benzamide
CID 45486042
N,N-diethyl-4-((3-hydroxyphenyl)(1-phenethylpiperidin-4-yl)amino)benzamide
CID 45486055
N,N-diethyl-4-((1-(2-(furan-2-yl)ethyl)piperidin-4-yl)(3-hydroxyphenyl)amino)benzamide
CID 45486070
N,N-diethyl-4-((3-hydroxyphenyl)(1-(2-(thiophen-2-yl)ethyl)piperidin-4-yl)amino)benzamide
CID 45486096
N,N-diethyl-4-((3-hydroxyphenyl)(1-(4-methylphenethyl)piperidin-4-yl)amino)benzamide
CID 45486101
N-(3-hydroxyphenyl)-4-(3-methylbutanoylamino)benzamide
CID 976622
4-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]-N-(4-hydroxyphenyl)benzamide
CID 44564914

Frequently Asked Questions

What is the IUPAC name of 4-(N-[1-(2-cyclopropylethyl)piperidin-4-yl]-3-hydroxyanilino)-N,N-diethylbenzamide?
The IUPAC name of 4-(N-[1-(2-cyclopropylethyl)piperidin-4-yl]-3-hydroxyanilino)-N,N-diethylbenzamide (CID 45486032) is 4-(N-[1-(2-cyclopropylethyl)piperidin-4-yl]-3-hydroxyanilino)-N,N-diethylbenzamide.
What is the SMILES notation for 4-(N-[1-(2-cyclopropylethyl)piperidin-4-yl]-3-hydroxyanilino)-N,N-diethylbenzamide?
The canonical SMILES for 4-(N-[1-(2-cyclopropylethyl)piperidin-4-yl]-3-hydroxyanilino)-N,N-diethylbenzamide is CCN(CC)C(=O)c1ccc(N(c2cccc(O)c2)C2CCN(CCC3CC3)CC2)cc1.
What is the InChIKey of 4-(N-[1-(2-cyclopropylethyl)piperidin-4-yl]-3-hydroxyanilino)-N,N-diethylbenzamide?
The InChIKey is KOPUPIPJZYWCGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H37N3O2/c1-3-29(4-2)27(32)22-10-12-23(13-11-22)30(25-6-5-7-26(31)20-25)24-15-18-28(19-16-24)17-14-21-8-9-21/h5-7,10-13,20-21,24,31H,3-4,8-9,14-19H2,1-2H3.
What are the key properties of 4-(N-[1-(2-cyclopropylethyl)piperidin-4-yl]-3-hydroxyanilino)-N,N-diethylbenzamide?
4-(N-[1-(2-cyclopropylethyl)piperidin-4-yl]-3-hydroxyanilino)-N,N-diethylbenzamide has a molecular weight of 435.61 g/mol, XLogP of 5.28, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(N-[1-(2-cyclopropylethyl)piperidin-4-yl]-3-hydroxyanilino)-N,N-diethylbenzamide is sourced from PubChem (CID 45486032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).