methyl 1-[2-(3-methylpyrazol-1-yl)ethyl]-4-(N-propanoylanilino)piperidine-4-carboxylate

C22H30N4O3 — CID 14879864

IUPACmethyl 1-[2-(3-methylpyrazol-1-yl)ethyl]-4-(N-propanoylanilino)piperidine-4-carboxylate
SMILESCCC(=O)N(c1ccccc1)C1(C(=O)OC)CCN(CCn2ccc(C)n2)CC1
InChIInChI=1S/C22H30N4O3/c1-4-20(27)26(19-8-6-5-7-9-19)22(21(28)29-3)11-14-24(15-12-22)16-17-25-13-10-18(2)23-25/h5-10,13H,4,11-12,14-17H2,1-3H3
InChIKeyFKDWIVIFBSQCKQ-UHFFFAOYSA-N
MW398.51 g/mol
LogP2.64
Rot. Bonds7

About methyl 1-[2-(3-methylpyrazol-1-yl)ethyl]-4-(N-propanoylanilino)piperidine-4-carboxylate

methyl 1-[2-(3-methylpyrazol-1-yl)ethyl]-4-(N-propanoylanilino)piperidine-4-carboxylate (PubChem CID 14879864) has the molecular formula C22H30N4O3 and a molecular weight of 398.51 g/mol. Its IUPAC name is methyl 1-[2-(3-methylpyrazol-1-yl)ethyl]-4-(N-propanoylanilino)piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-(3-methylpyrazol-1-yl)ethyl]-4-(N-propanoylanilino)piperidine-4-carboxylate
PubChem CID14879864
Molecular FormulaC22H30N4O3
Molecular Weight398.51 g/mol
Exact Mass398.23
IUPAC Namemethyl 1-[2-(3-methylpyrazol-1-yl)ethyl]-4-(N-propanoylanilino)piperidine-4-carboxylate
SMILESCCC(=O)N(c1ccccc1)C1(C(=O)OC)CCN(CCn2ccc(C)n2)CC1
InChIInChI=1S/C22H30N4O3/c1-4-20(27)26(19-8-6-5-7-9-19)22(21(28)29-3)11-14-24(15-12-22)16-17-25-13-10-18(2)23-25/h5-10,13H,4,11-12,14-17H2,1-3H3
InChIKeyFKDWIVIFBSQCKQ-UHFFFAOYSA-N
XLogP2.64
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-(Phenyl-propionyl-amino)-1-(2-pyrazol-1-yl-ethyl)-piperidine-4-carboxylic acid methyl ester
CID 14879862
N-[4-Methoxymethyl-1-(2-pyrazol-1-yl-ethyl)-piperidin-4-yl]-N-phenyl-propionamide
CID 14879863
methyl 4-(N-propanoylanilino)-1-(2-pyrrol-1-ylethyl)piperidine-4-carboxylate
CID 14879858
methyl 1-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-4-(N-propanoylanilino)piperidine-4-carboxylate
CID 14879865
N-[1-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-4-(methoxymethyl)piperidin-4-yl]-N-phenylpropanamide
CID 14879866
methyl 1-[2-(4-iodopyrazol-1-yl)ethyl]-4-(N-propanoylanilino)piperidine-4-carboxylate
CID 14879867
N-[1-[2-(4-iodopyrazol-1-yl)ethyl]-4-(methoxymethyl)piperidin-4-yl]-N-phenylpropanamide
CID 14879868
Methyl 1-[2-[3-(4-fluorophenyl)pyrazol-1-yl]acetyl]piperidine-4-carboxylate
CID 53592920
Methyl 1-[2-(3-phenylpyrazol-1-yl)acetyl]piperidine-4-carboxylate
CID 53605178
1-[4-(Cyclopropanecarbonyl)piperazin-1-yl]-2-(3-phenylpyrazol-1-yl)ethanone
CID 56787271
Methyl 2-[4-[[1-(4-fluorophenyl)pyrazol-3-yl]methyl]morpholin-2-yl]acetate
CID 71924319
N-[4-(2-methylmorpholin-4-yl)phenyl]-2-pyrazol-1-ylacetamide
CID 72008605

Frequently Asked Questions

What is the IUPAC name of methyl 1-[2-(3-methylpyrazol-1-yl)ethyl]-4-(N-propanoylanilino)piperidine-4-carboxylate?
The IUPAC name of methyl 1-[2-(3-methylpyrazol-1-yl)ethyl]-4-(N-propanoylanilino)piperidine-4-carboxylate (CID 14879864) is methyl 1-[2-(3-methylpyrazol-1-yl)ethyl]-4-(N-propanoylanilino)piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-[2-(3-methylpyrazol-1-yl)ethyl]-4-(N-propanoylanilino)piperidine-4-carboxylate?
The canonical SMILES for methyl 1-[2-(3-methylpyrazol-1-yl)ethyl]-4-(N-propanoylanilino)piperidine-4-carboxylate is CCC(=O)N(c1ccccc1)C1(C(=O)OC)CCN(CCn2ccc(C)n2)CC1.
What is the InChIKey of methyl 1-[2-(3-methylpyrazol-1-yl)ethyl]-4-(N-propanoylanilino)piperidine-4-carboxylate?
The InChIKey is FKDWIVIFBSQCKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O3/c1-4-20(27)26(19-8-6-5-7-9-19)22(21(28)29-3)11-14-24(15-12-22)16-17-25-13-10-18(2)23-25/h5-10,13H,4,11-12,14-17H2,1-3H3.
What are the key properties of methyl 1-[2-(3-methylpyrazol-1-yl)ethyl]-4-(N-propanoylanilino)piperidine-4-carboxylate?
methyl 1-[2-(3-methylpyrazol-1-yl)ethyl]-4-(N-propanoylanilino)piperidine-4-carboxylate has a molecular weight of 398.51 g/mol, XLogP of 2.64, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[2-(3-methylpyrazol-1-yl)ethyl]-4-(N-propanoylanilino)piperidine-4-carboxylate is sourced from PubChem (CID 14879864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).