propan-2-yl 1-[2-(2,6-dimethylanilino)-2-oxoethyl]piperidine-3-carboxylate

C19H28N2O3 — CID 155100176

IUPACpropan-2-yl 1-[2-(2,6-dimethylanilino)-2-oxoethyl]piperidine-3-carboxylate
SMILESCc1cccc(C)c1NC(=O)CN1CCCC(C(=O)OC(C)C)C1
InChIInChI=1S/C19H28N2O3/c1-13(2)24-19(23)16-9-6-10-21(11-16)12-17(22)20-18-14(3)7-5-8-15(18)4/h5,7-8,13,16H,6,9-12H2,1-4H3,(H,20,22)
InChIKeyHYJVHDORZAPMOJ-UHFFFAOYSA-N
MW332.44 g/mol
LogP2.91
Rot. Bonds5

About propan-2-yl 1-[2-(2,6-dimethylanilino)-2-oxoethyl]piperidine-3-carboxylate

propan-2-yl 1-[2-(2,6-dimethylanilino)-2-oxoethyl]piperidine-3-carboxylate (PubChem CID 155100176) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is propan-2-yl 1-[2-(2,6-dimethylanilino)-2-oxoethyl]piperidine-3-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 1-[2-(2,6-dimethylanilino)-2-oxoethyl]piperidine-3-carboxylate
PubChem CID155100176
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC Namepropan-2-yl 1-[2-(2,6-dimethylanilino)-2-oxoethyl]piperidine-3-carboxylate
SMILESCc1cccc(C)c1NC(=O)CN1CCCC(C(=O)OC(C)C)C1
InChIInChI=1S/C19H28N2O3/c1-13(2)24-19(23)16-9-6-10-21(11-16)12-17(22)20-18-14(3)7-5-8-15(18)4/h5,7-8,13,16H,6,9-12H2,1-4H3,(H,20,22)
InChIKeyHYJVHDORZAPMOJ-UHFFFAOYSA-N
XLogP2.91
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(2-amino-6-methylanilino)-2-oxoethyl]piperidine-3-carboxamide
CID 43375565
2-[3-(methylamino)piperidin-1-yl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 119919377
2-[4-[2-[[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 8917657
2-[4-(1-aminoethyl)piperidin-1-yl]-N-(2,6-dimethylphenyl)acetamide;hydrochloride
CID 119920937
N-(2,6-dimethylphenyl)-2-[4-[2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl]piperazin-1-yl]acetamide
CID 8744383
ethyl (3S)-1-[2-oxo-2-(2-propan-2-ylanilino)ethyl]piperidine-3-carboxylate
CID 8532875
1-[2-(2,6-dimethylanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 800463
ethyl 1-[2-(3-iodoanilino)-2-oxoethyl]piperidine-3-carboxylate
CID 46801115
N-(2-chloro-6-methylphenyl)-2-pyrrolidin-1-ylacetamide;hydrochloride
CID 24832627
2-[[2-(azepan-1-yl)acetyl]amino]-N-(2,6-dimethylphenyl)acetamide
CID 8895869
N-(2-amino-6-methylphenyl)-2-pyrrolidin-1-ylacetamide
CID 43375431
methyl (3S)-1-[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]piperidine-3-carboxylate
CID 79037832

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 1-[2-(2,6-dimethylanilino)-2-oxoethyl]piperidine-3-carboxylate?
The IUPAC name of propan-2-yl 1-[2-(2,6-dimethylanilino)-2-oxoethyl]piperidine-3-carboxylate (CID 155100176) is propan-2-yl 1-[2-(2,6-dimethylanilino)-2-oxoethyl]piperidine-3-carboxylate.
What is the SMILES notation for propan-2-yl 1-[2-(2,6-dimethylanilino)-2-oxoethyl]piperidine-3-carboxylate?
The canonical SMILES for propan-2-yl 1-[2-(2,6-dimethylanilino)-2-oxoethyl]piperidine-3-carboxylate is Cc1cccc(C)c1NC(=O)CN1CCCC(C(=O)OC(C)C)C1.
What is the InChIKey of propan-2-yl 1-[2-(2,6-dimethylanilino)-2-oxoethyl]piperidine-3-carboxylate?
The InChIKey is HYJVHDORZAPMOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-13(2)24-19(23)16-9-6-10-21(11-16)12-17(22)20-18-14(3)7-5-8-15(18)4/h5,7-8,13,16H,6,9-12H2,1-4H3,(H,20,22).
What are the key properties of propan-2-yl 1-[2-(2,6-dimethylanilino)-2-oxoethyl]piperidine-3-carboxylate?
propan-2-yl 1-[2-(2,6-dimethylanilino)-2-oxoethyl]piperidine-3-carboxylate has a molecular weight of 332.44 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 1-[2-(2,6-dimethylanilino)-2-oxoethyl]piperidine-3-carboxylate is sourced from PubChem (CID 155100176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).