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

C22H33N3O3 — CID 1343465

IUPACethyl 4-[1-[(4-ethylphenyl)methyl]piperidine-4-carbonyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)C2CCN(Cc3ccc(CC)cc3)CC2)CC1
InChIInChI=1S/C22H33N3O3/c1-3-18-5-7-19(8-6-18)17-23-11-9-20(10-12-23)21(26)24-13-15-25(16-14-24)22(27)28-4-2/h5-8,20H,3-4,9-17H2,1-2H3
InChIKeyYKVKMIWKXZFKBD-UHFFFAOYSA-N
MW387.52 g/mol
LogP2.76
Rot. Bonds5

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

ethyl 4-[1-[(4-ethylphenyl)methyl]piperidine-4-carbonyl]piperazine-1-carboxylate (PubChem CID 1343465) has the molecular formula C22H33N3O3 and a molecular weight of 387.52 g/mol. Its IUPAC name is ethyl 4-[1-[(4-ethylphenyl)methyl]piperidine-4-carbonyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[1-[(4-ethylphenyl)methyl]piperidine-4-carbonyl]piperazine-1-carboxylate
PubChem CID1343465
Molecular FormulaC22H33N3O3
Molecular Weight387.52 g/mol
Exact Mass387.25
IUPAC Nameethyl 4-[1-[(4-ethylphenyl)methyl]piperidine-4-carbonyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)C2CCN(Cc3ccc(CC)cc3)CC2)CC1
InChIInChI=1S/C22H33N3O3/c1-3-18-5-7-19(8-6-18)17-23-11-9-20(10-12-23)21(26)24-13-15-25(16-14-24)22(27)28-4-2/h5-8,20H,3-4,9-17H2,1-2H3
InChIKeyYKVKMIWKXZFKBD-UHFFFAOYSA-N
XLogP2.76
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.52
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[1-[(4-ethylphenyl)methyl]piperidine-4-carbonyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[1-[(4-ethylphenyl)methyl]piperidine-4-carbonyl]piperazine-1-carboxylate (CID 1343465) is ethyl 4-[1-[(4-ethylphenyl)methyl]piperidine-4-carbonyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[1-[(4-ethylphenyl)methyl]piperidine-4-carbonyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[1-[(4-ethylphenyl)methyl]piperidine-4-carbonyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)C2CCN(Cc3ccc(CC)cc3)CC2)CC1.
What is the InChIKey of ethyl 4-[1-[(4-ethylphenyl)methyl]piperidine-4-carbonyl]piperazine-1-carboxylate?
The InChIKey is YKVKMIWKXZFKBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O3/c1-3-18-5-7-19(8-6-18)17-23-11-9-20(10-12-23)21(26)24-13-15-25(16-14-24)22(27)28-4-2/h5-8,20H,3-4,9-17H2,1-2H3.
What are the key properties of ethyl 4-[1-[(4-ethylphenyl)methyl]piperidine-4-carbonyl]piperazine-1-carboxylate?
ethyl 4-[1-[(4-ethylphenyl)methyl]piperidine-4-carbonyl]piperazine-1-carboxylate has a molecular weight of 387.52 g/mol, XLogP of 2.76, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[1-[(4-ethylphenyl)methyl]piperidine-4-carbonyl]piperazine-1-carboxylate is sourced from PubChem (CID 1343465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).