ethyl 4-[(3-methoxyphenyl)methyl]-1-[(5-propan-2-ylpyrazolidin-3-yl)methyl]piperidine-4-carboxylate

C23H37N3O3 — CID 74825594

IUPACethyl 4-[(3-methoxyphenyl)methyl]-1-[(5-propan-2-ylpyrazolidin-3-yl)methyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1(Cc2cccc(OC)c2)CCN(CC2CC(C(C)C)NN2)CC1
InChIInChI=1S/C23H37N3O3/c1-5-29-22(27)23(15-18-7-6-8-20(13-18)28-4)9-11-26(12-10-23)16-19-14-21(17(2)3)25-24-19/h6-8,13,17,19,21,24-25H,5,9-12,14-16H2,1-4H3
InChIKeyLVMKKFZZRRNSJF-UHFFFAOYSA-N
MW403.57 g/mol
LogP2.77
Rot. Bonds8

About ethyl 4-[(3-methoxyphenyl)methyl]-1-[(5-propan-2-ylpyrazolidin-3-yl)methyl]piperidine-4-carboxylate

ethyl 4-[(3-methoxyphenyl)methyl]-1-[(5-propan-2-ylpyrazolidin-3-yl)methyl]piperidine-4-carboxylate (PubChem CID 74825594) has the molecular formula C23H37N3O3 and a molecular weight of 403.57 g/mol. Its IUPAC name is ethyl 4-[(3-methoxyphenyl)methyl]-1-[(5-propan-2-ylpyrazolidin-3-yl)methyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(3-methoxyphenyl)methyl]-1-[(5-propan-2-ylpyrazolidin-3-yl)methyl]piperidine-4-carboxylate
PubChem CID74825594
Molecular FormulaC23H37N3O3
Molecular Weight403.57 g/mol
Exact Mass403.28
IUPAC Nameethyl 4-[(3-methoxyphenyl)methyl]-1-[(5-propan-2-ylpyrazolidin-3-yl)methyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1(Cc2cccc(OC)c2)CCN(CC2CC(C(C)C)NN2)CC1
InChIInChI=1S/C23H37N3O3/c1-5-29-22(27)23(15-18-7-6-8-20(13-18)28-4)9-11-26(12-10-23)16-19-14-21(17(2)3)25-24-19/h6-8,13,17,19,21,24-25H,5,9-12,14-16H2,1-4H3
InChIKeyLVMKKFZZRRNSJF-UHFFFAOYSA-N
XLogP2.77
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.57
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze ethyl 4-[(3-methoxyphenyl)methyl]-1-[(5-propan-2-ylpyrazolidin-3-yl)methyl]piperidine-4-carboxylate with MolForge

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Related Compounds

ethyl 3-[(3-methoxyphenyl)methyl]-1-[(5-propan-2-ylpyrazolidin-3-yl)methyl]piperidine-3-carboxylate
CID 74441655
ethyl 1-[(2-fluorophenyl)methyl]-4-[(3-methoxyphenyl)methyl]piperidine-4-carboxylate
CID 25455542
ethyl 4-[(3-methoxyphenyl)methyl]-1-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperidine-4-carboxylate
CID 42596568
ethyl (3R)-3-[(3-methoxyphenyl)methyl]-1-(pyridin-4-ylmethyl)piperidine-3-carboxylate
CID 42395681
ethyl 3-[(3-methoxyphenyl)methyl]-1-[(5-methyl-1H-pyrazol-3-yl)methyl]piperidine-3-carboxylate
CID 45180380
ethyl (3R)-1-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-3-[(3-methoxyphenyl)methyl]piperidine-3-carboxylate
CID 25453470
ethyl 4-[(4-chlorophenyl)methyl]-1-(3-methoxybenzoyl)piperidine-4-carboxylate
CID 26325589
ethyl (3R)-3-[(3-methoxyphenyl)methyl]-1-[(1-methylpyrazol-4-yl)methyl]piperidine-3-carboxylate
CID 42345116
ethyl (3S)-3-[(3-methoxyphenyl)methyl]-1-(pyridine-4-carbonyl)piperidine-3-carboxylate
CID 25371387
ethyl 1-[(3-acetylphenyl)methyl]-4-benzylpiperidine-4-carboxylate
CID 26411542
ethyl 1-[[4-(4-hydroxybut-1-ynyl)phenyl]methyl]-3-[(3-methoxyphenyl)methyl]piperidine-3-carboxylate
CID 45195623
ethyl 4-[(3-fluorophenyl)methyl]-1-(pyridin-4-ylmethyl)piperidine-4-carboxylate
CID 42193901

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(3-methoxyphenyl)methyl]-1-[(5-propan-2-ylpyrazolidin-3-yl)methyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 4-[(3-methoxyphenyl)methyl]-1-[(5-propan-2-ylpyrazolidin-3-yl)methyl]piperidine-4-carboxylate (CID 74825594) is ethyl 4-[(3-methoxyphenyl)methyl]-1-[(5-propan-2-ylpyrazolidin-3-yl)methyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 4-[(3-methoxyphenyl)methyl]-1-[(5-propan-2-ylpyrazolidin-3-yl)methyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 4-[(3-methoxyphenyl)methyl]-1-[(5-propan-2-ylpyrazolidin-3-yl)methyl]piperidine-4-carboxylate is CCOC(=O)C1(Cc2cccc(OC)c2)CCN(CC2CC(C(C)C)NN2)CC1.
What is the InChIKey of ethyl 4-[(3-methoxyphenyl)methyl]-1-[(5-propan-2-ylpyrazolidin-3-yl)methyl]piperidine-4-carboxylate?
The InChIKey is LVMKKFZZRRNSJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H37N3O3/c1-5-29-22(27)23(15-18-7-6-8-20(13-18)28-4)9-11-26(12-10-23)16-19-14-21(17(2)3)25-24-19/h6-8,13,17,19,21,24-25H,5,9-12,14-16H2,1-4H3.
What are the key properties of ethyl 4-[(3-methoxyphenyl)methyl]-1-[(5-propan-2-ylpyrazolidin-3-yl)methyl]piperidine-4-carboxylate?
ethyl 4-[(3-methoxyphenyl)methyl]-1-[(5-propan-2-ylpyrazolidin-3-yl)methyl]piperidine-4-carboxylate has a molecular weight of 403.57 g/mol, XLogP of 2.77, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(3-methoxyphenyl)methyl]-1-[(5-propan-2-ylpyrazolidin-3-yl)methyl]piperidine-4-carboxylate is sourced from PubChem (CID 74825594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).