4-[1-(N-(2-ethoxy-2-oxoethyl)anilino)-2-methylpropan-2-yl]piperidine-1-carboxylic acid

C20H30N2O4 — CID 175199226

IUPAC4-[1-(N-(2-ethoxy-2-oxoethyl)anilino)-2-methylpropan-2-yl]piperidine-1-carboxylic acid
SMILESCCOC(=O)CN(CC(C)(C)C1CCN(C(=O)O)CC1)c1ccccc1
InChIInChI=1S/C20H30N2O4/c1-4-26-18(23)14-22(17-8-6-5-7-9-17)15-20(2,3)16-10-12-21(13-11-16)19(24)25/h5-9,16H,4,10-15H2,1-3H3,(H,24,25)
InChIKeyIKRNLFIOMZLRPE-UHFFFAOYSA-N
MW362.47 g/mol
LogP3.47
Rot. Bonds7

About 4-[1-(N-(2-ethoxy-2-oxoethyl)anilino)-2-methylpropan-2-yl]piperidine-1-carboxylic acid

4-[1-(N-(2-ethoxy-2-oxoethyl)anilino)-2-methylpropan-2-yl]piperidine-1-carboxylic acid (PubChem CID 175199226) has the molecular formula C20H30N2O4 and a molecular weight of 362.47 g/mol. Its IUPAC name is 4-[1-(N-(2-ethoxy-2-oxoethyl)anilino)-2-methylpropan-2-yl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[1-(N-(2-ethoxy-2-oxoethyl)anilino)-2-methylpropan-2-yl]piperidine-1-carboxylic acid
PubChem CID175199226
Molecular FormulaC20H30N2O4
Molecular Weight362.47 g/mol
Exact Mass362.22
IUPAC Name4-[1-(N-(2-ethoxy-2-oxoethyl)anilino)-2-methylpropan-2-yl]piperidine-1-carboxylic acid
SMILESCCOC(=O)CN(CC(C)(C)C1CCN(C(=O)O)CC1)c1ccccc1
InChIInChI=1S/C20H30N2O4/c1-4-26-18(23)14-22(17-8-6-5-7-9-17)15-20(2,3)16-10-12-21(13-11-16)19(24)25/h5-9,16H,4,10-15H2,1-3H3,(H,24,25)
InChIKeyIKRNLFIOMZLRPE-UHFFFAOYSA-N
XLogP3.47
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-(3-ethoxy-3-oxopropyl)-4-(N-propanoylanilino)piperidine-4-carboxylate
CID 9977711
methyl 1-[3-(2-methylpropoxy)-3-oxopropyl]-4-(N-propanoylanilino)piperidine-4-carboxylate
CID 14873753
methyl 1-[3-(2-methylbutoxy)-3-oxopropyl]-4-(N-propanoylanilino)piperidine-4-carboxylate
CID 14873759
methyl 1-[3-(3-methylbutoxy)-3-oxopropyl]-4-(N-propanoylanilino)piperidine-4-carboxylate
CID 14873761
methyl 1-[3-(2,2-dimethylpropoxy)-3-oxopropyl]-4-(N-propanoylanilino)piperidine-4-carboxylate
CID 14873763
methyl 1-(4-methoxy-4-oxobutyl)-4-(N-propanoylanilino)piperidine-4-carboxylate
CID 14873781
methyl 1-(2-methoxy-2-oxoethyl)-4-(N-propanoylanilino)piperidine-4-carboxylate
CID 14873779
1-Piperazineacetic acid, 4-phenyl-, ethyl ester
CID 3044259
2-Methoxy-1-(2-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)ethanone
CID 3232629
4-[(1-Oxopropyl)phenylamino]-1-piperidineacetic acid, methyl ester
CID 14873777
N-(1-(2-Ethoxyethyl)-3-methylpiperidin-4-yl)-N-phenylacetamide
CID 3079306
Propanamide, N-(1-(2-ethoxyethyl)-3-methyl-4-piperidinyl)-N-phenyl-, cis-
CID 3079307

Frequently Asked Questions

What is the IUPAC name of 4-[1-(N-(2-ethoxy-2-oxoethyl)anilino)-2-methylpropan-2-yl]piperidine-1-carboxylic acid?
The IUPAC name of 4-[1-(N-(2-ethoxy-2-oxoethyl)anilino)-2-methylpropan-2-yl]piperidine-1-carboxylic acid (CID 175199226) is 4-[1-(N-(2-ethoxy-2-oxoethyl)anilino)-2-methylpropan-2-yl]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[1-(N-(2-ethoxy-2-oxoethyl)anilino)-2-methylpropan-2-yl]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[1-(N-(2-ethoxy-2-oxoethyl)anilino)-2-methylpropan-2-yl]piperidine-1-carboxylic acid is CCOC(=O)CN(CC(C)(C)C1CCN(C(=O)O)CC1)c1ccccc1.
What is the InChIKey of 4-[1-(N-(2-ethoxy-2-oxoethyl)anilino)-2-methylpropan-2-yl]piperidine-1-carboxylic acid?
The InChIKey is IKRNLFIOMZLRPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O4/c1-4-26-18(23)14-22(17-8-6-5-7-9-17)15-20(2,3)16-10-12-21(13-11-16)19(24)25/h5-9,16H,4,10-15H2,1-3H3,(H,24,25).
What are the key properties of 4-[1-(N-(2-ethoxy-2-oxoethyl)anilino)-2-methylpropan-2-yl]piperidine-1-carboxylic acid?
4-[1-(N-(2-ethoxy-2-oxoethyl)anilino)-2-methylpropan-2-yl]piperidine-1-carboxylic acid has a molecular weight of 362.47 g/mol, XLogP of 3.47, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(N-(2-ethoxy-2-oxoethyl)anilino)-2-methylpropan-2-yl]piperidine-1-carboxylic acid is sourced from PubChem (CID 175199226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).