ethyl 1-[1-[(4-ethylphenyl)methyl]piperidine-4-carbonyl]piperidine-4-carboxylate

C23H34N2O3 — CID 1080789

IUPACethyl 1-[1-[(4-ethylphenyl)methyl]piperidine-4-carbonyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)C2CCN(Cc3ccc(CC)cc3)CC2)CC1
InChIInChI=1S/C23H34N2O3/c1-3-18-5-7-19(8-6-18)17-24-13-9-20(10-14-24)22(26)25-15-11-21(12-16-25)23(27)28-4-2/h5-8,20-21H,3-4,9-17H2,1-2H3
InChIKeyWQZDKAYQCQBKIK-UHFFFAOYSA-N
MW386.54 g/mol
LogP3.26
Rot. Bonds6

About ethyl 1-[1-[(4-ethylphenyl)methyl]piperidine-4-carbonyl]piperidine-4-carboxylate

ethyl 1-[1-[(4-ethylphenyl)methyl]piperidine-4-carbonyl]piperidine-4-carboxylate (PubChem CID 1080789) has the molecular formula C23H34N2O3 and a molecular weight of 386.54 g/mol. Its IUPAC name is ethyl 1-[1-[(4-ethylphenyl)methyl]piperidine-4-carbonyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[1-[(4-ethylphenyl)methyl]piperidine-4-carbonyl]piperidine-4-carboxylate
PubChem CID1080789
Molecular FormulaC23H34N2O3
Molecular Weight386.54 g/mol
Exact Mass386.26
IUPAC Nameethyl 1-[1-[(4-ethylphenyl)methyl]piperidine-4-carbonyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)C2CCN(Cc3ccc(CC)cc3)CC2)CC1
InChIInChI=1S/C23H34N2O3/c1-3-18-5-7-19(8-6-18)17-24-13-9-20(10-14-24)22(26)25-15-11-21(12-16-25)23(27)28-4-2/h5-8,20-21H,3-4,9-17H2,1-2H3
InChIKeyWQZDKAYQCQBKIK-UHFFFAOYSA-N
XLogP3.26
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.54
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[(4-ethylphenyl)methyl]piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 807342
ethyl 1-[1-[(3-chlorophenyl)methyl]piperidine-4-carbonyl]piperidine-4-carboxylate
CID 25249218
ethyl 1-[1-[(2-hydroxyphenyl)methyl]piperidine-4-carbonyl]piperidine-4-carboxylate
CID 4223675
ethyl 1-[2-(4-ethylphenyl)acetyl]piperidine-4-carboxylate
CID 99705064
[1-[(4-ethylphenyl)methyl]piperidin-4-yl]-(4-ethylpiperazin-1-yl)methanone;oxalic acid
CID 126469034
[1-[(4-methylphenyl)methyl]piperidin-4-yl]-piperidin-1-ylmethanone
CID 883903
ethyl 1-[1-[(2-methoxyphenyl)methyl]piperidine-4-carbonyl]piperidine-4-carboxylate;oxalic acid
CID 2903679
ethyl 1-[(3-chlorophenyl)methyl]piperidine-4-carboxylate
CID 764602
[1-[(4-ethoxyphenyl)methyl]piperidin-4-yl]-morpholin-4-ylmethanone
CID 883926
ethyl 1-[(3-aminophenyl)methyl]piperidine-4-carboxylate
CID 2800723
[6-[(4-ethoxycarbonylpiperidin-1-yl)methyl]naphthalen-2-yl]oxidanium
CID 140661185
ethyl 1-[(4-phenylmethoxyphenyl)methyl]piperidine-4-carboxylate;oxalic acid
CID 23724214

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[1-[(4-ethylphenyl)methyl]piperidine-4-carbonyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[1-[(4-ethylphenyl)methyl]piperidine-4-carbonyl]piperidine-4-carboxylate (CID 1080789) is ethyl 1-[1-[(4-ethylphenyl)methyl]piperidine-4-carbonyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[1-[(4-ethylphenyl)methyl]piperidine-4-carbonyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[1-[(4-ethylphenyl)methyl]piperidine-4-carbonyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)C2CCN(Cc3ccc(CC)cc3)CC2)CC1.
What is the InChIKey of ethyl 1-[1-[(4-ethylphenyl)methyl]piperidine-4-carbonyl]piperidine-4-carboxylate?
The InChIKey is WQZDKAYQCQBKIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N2O3/c1-3-18-5-7-19(8-6-18)17-24-13-9-20(10-14-24)22(26)25-15-11-21(12-16-25)23(27)28-4-2/h5-8,20-21H,3-4,9-17H2,1-2H3.
What are the key properties of ethyl 1-[1-[(4-ethylphenyl)methyl]piperidine-4-carbonyl]piperidine-4-carboxylate?
ethyl 1-[1-[(4-ethylphenyl)methyl]piperidine-4-carbonyl]piperidine-4-carboxylate has a molecular weight of 386.54 g/mol, XLogP of 3.26, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[1-[(4-ethylphenyl)methyl]piperidine-4-carbonyl]piperidine-4-carboxylate is sourced from PubChem (CID 1080789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).