N-[1-[2-(2,4-dimethylanilino)-2-oxoethyl]piperidin-4-yl]-2-phenylacetamide

C23H29N3O2 — CID 3220942

IUPACN-[1-[2-(2,4-dimethylanilino)-2-oxoethyl]piperidin-4-yl]-2-phenylacetamide
SMILESCc1ccc(NC(=O)CN2CCC(NC(=O)Cc3ccccc3)CC2)c(C)c1
InChIInChI=1S/C23H29N3O2/c1-17-8-9-21(18(2)14-17)25-23(28)16-26-12-10-20(11-13-26)24-22(27)15-19-6-4-3-5-7-19/h3-9,14,20H,10-13,15-16H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyUDVQPKRDORALHU-UHFFFAOYSA-N
MW379.50 g/mol
LogP3.07
Rot. Bonds6

About N-[1-[2-(2,4-dimethylanilino)-2-oxoethyl]piperidin-4-yl]-2-phenylacetamide

N-[1-[2-(2,4-dimethylanilino)-2-oxoethyl]piperidin-4-yl]-2-phenylacetamide (PubChem CID 3220942) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is N-[1-[2-(2,4-dimethylanilino)-2-oxoethyl]piperidin-4-yl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[1-[2-(2,4-dimethylanilino)-2-oxoethyl]piperidin-4-yl]-2-phenylacetamide
PubChem CID3220942
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC NameN-[1-[2-(2,4-dimethylanilino)-2-oxoethyl]piperidin-4-yl]-2-phenylacetamide
SMILESCc1ccc(NC(=O)CN2CCC(NC(=O)Cc3ccccc3)CC2)c(C)c1
InChIInChI=1S/C23H29N3O2/c1-17-8-9-21(18(2)14-17)25-23(28)16-26-12-10-20(11-13-26)24-22(27)15-19-6-4-3-5-7-19/h3-9,14,20H,10-13,15-16H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyUDVQPKRDORALHU-UHFFFAOYSA-N
XLogP3.07
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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Etidocaine
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2-Piperidinecarboxamide, 1-butyl-N-(2,6-dimethylphenyl)-, hydrochloride (1:1), (2S)-
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4-(N-methyl-2-phenylethylamino)-1-(3,5-dimethyl-4-propionylaminobenzoyl)piperidine
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CID 2608606

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(2,4-dimethylanilino)-2-oxoethyl]piperidin-4-yl]-2-phenylacetamide?
The IUPAC name of N-[1-[2-(2,4-dimethylanilino)-2-oxoethyl]piperidin-4-yl]-2-phenylacetamide (CID 3220942) is N-[1-[2-(2,4-dimethylanilino)-2-oxoethyl]piperidin-4-yl]-2-phenylacetamide.
What is the SMILES notation for N-[1-[2-(2,4-dimethylanilino)-2-oxoethyl]piperidin-4-yl]-2-phenylacetamide?
The canonical SMILES for N-[1-[2-(2,4-dimethylanilino)-2-oxoethyl]piperidin-4-yl]-2-phenylacetamide is Cc1ccc(NC(=O)CN2CCC(NC(=O)Cc3ccccc3)CC2)c(C)c1.
What is the InChIKey of N-[1-[2-(2,4-dimethylanilino)-2-oxoethyl]piperidin-4-yl]-2-phenylacetamide?
The InChIKey is UDVQPKRDORALHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-17-8-9-21(18(2)14-17)25-23(28)16-26-12-10-20(11-13-26)24-22(27)15-19-6-4-3-5-7-19/h3-9,14,20H,10-13,15-16H2,1-2H3,(H,24,27)(H,25,28).
What are the key properties of N-[1-[2-(2,4-dimethylanilino)-2-oxoethyl]piperidin-4-yl]-2-phenylacetamide?
N-[1-[2-(2,4-dimethylanilino)-2-oxoethyl]piperidin-4-yl]-2-phenylacetamide has a molecular weight of 379.50 g/mol, XLogP of 3.07, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(2,4-dimethylanilino)-2-oxoethyl]piperidin-4-yl]-2-phenylacetamide is sourced from PubChem (CID 3220942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).