ethyl 4-[6-oxo-1-(3-phenylpropyl)piperidine-3-carbonyl]piperazine-1-carboxylate

C22H31N3O4 — CID 24793040

IUPACethyl 4-[6-oxo-1-(3-phenylpropyl)piperidine-3-carbonyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)C2CCC(=O)N(CCCc3ccccc3)C2)CC1
InChIInChI=1S/C22H31N3O4/c1-2-29-22(28)24-15-13-23(14-16-24)21(27)19-10-11-20(26)25(17-19)12-6-9-18-7-4-3-5-8-18/h3-5,7-8,19H,2,6,9-17H2,1H3
InChIKeyDEWPEWILZYCNGL-UHFFFAOYSA-N
MW401.51 g/mol
LogP2.16
Rot. Bonds6

About ethyl 4-[6-oxo-1-(3-phenylpropyl)piperidine-3-carbonyl]piperazine-1-carboxylate

ethyl 4-[6-oxo-1-(3-phenylpropyl)piperidine-3-carbonyl]piperazine-1-carboxylate (PubChem CID 24793040) has the molecular formula C22H31N3O4 and a molecular weight of 401.51 g/mol. Its IUPAC name is ethyl 4-[6-oxo-1-(3-phenylpropyl)piperidine-3-carbonyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[6-oxo-1-(3-phenylpropyl)piperidine-3-carbonyl]piperazine-1-carboxylate
PubChem CID24793040
Molecular FormulaC22H31N3O4
Molecular Weight401.51 g/mol
Exact Mass401.23
IUPAC Nameethyl 4-[6-oxo-1-(3-phenylpropyl)piperidine-3-carbonyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)C2CCC(=O)N(CCCc3ccccc3)C2)CC1
InChIInChI=1S/C22H31N3O4/c1-2-29-22(28)24-15-13-23(14-16-24)21(27)19-10-11-20(26)25(17-19)12-6-9-18-7-4-3-5-8-18/h3-5,7-8,19H,2,6,9-17H2,1H3
InChIKeyDEWPEWILZYCNGL-UHFFFAOYSA-N
XLogP2.16
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[6-oxo-1-(3-phenylpropyl)piperidine-3-carbonyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[6-oxo-1-(3-phenylpropyl)piperidine-3-carbonyl]piperazine-1-carboxylate (CID 24793040) is ethyl 4-[6-oxo-1-(3-phenylpropyl)piperidine-3-carbonyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[6-oxo-1-(3-phenylpropyl)piperidine-3-carbonyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[6-oxo-1-(3-phenylpropyl)piperidine-3-carbonyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)C2CCC(=O)N(CCCc3ccccc3)C2)CC1.
What is the InChIKey of ethyl 4-[6-oxo-1-(3-phenylpropyl)piperidine-3-carbonyl]piperazine-1-carboxylate?
The InChIKey is DEWPEWILZYCNGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O4/c1-2-29-22(28)24-15-13-23(14-16-24)21(27)19-10-11-20(26)25(17-19)12-6-9-18-7-4-3-5-8-18/h3-5,7-8,19H,2,6,9-17H2,1H3.
What are the key properties of ethyl 4-[6-oxo-1-(3-phenylpropyl)piperidine-3-carbonyl]piperazine-1-carboxylate?
ethyl 4-[6-oxo-1-(3-phenylpropyl)piperidine-3-carbonyl]piperazine-1-carboxylate has a molecular weight of 401.51 g/mol, XLogP of 2.16, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[6-oxo-1-(3-phenylpropyl)piperidine-3-carbonyl]piperazine-1-carboxylate is sourced from PubChem (CID 24793040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).