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

C20H28N4O4 — CID 9164934

IUPACethyl 4-[1-(phenylcarbamoyl)piperidine-4-carbonyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)C2CCN(C(=O)Nc3ccccc3)CC2)CC1
InChIInChI=1S/C20H28N4O4/c1-2-28-20(27)24-14-12-22(13-15-24)18(25)16-8-10-23(11-9-16)19(26)21-17-6-4-3-5-7-17/h3-7,16H,2,8-15H2,1H3,(H,21,26)
InChIKeyZNHBKUWMFWCIIF-UHFFFAOYSA-N
MW388.47 g/mol
LogP2.23
Rot. Bonds3

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

ethyl 4-[1-(phenylcarbamoyl)piperidine-4-carbonyl]piperazine-1-carboxylate (PubChem CID 9164934) has the molecular formula C20H28N4O4 and a molecular weight of 388.47 g/mol. Its IUPAC name is ethyl 4-[1-(phenylcarbamoyl)piperidine-4-carbonyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[1-(phenylcarbamoyl)piperidine-4-carbonyl]piperazine-1-carboxylate
PubChem CID9164934
Molecular FormulaC20H28N4O4
Molecular Weight388.47 g/mol
Exact Mass388.21
IUPAC Nameethyl 4-[1-(phenylcarbamoyl)piperidine-4-carbonyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)C2CCN(C(=O)Nc3ccccc3)CC2)CC1
InChIInChI=1S/C20H28N4O4/c1-2-28-20(27)24-14-12-22(13-15-24)18(25)16-8-10-23(11-9-16)19(26)21-17-6-4-3-5-7-17/h3-7,16H,2,8-15H2,1H3,(H,21,26)
InChIKeyZNHBKUWMFWCIIF-UHFFFAOYSA-N
XLogP2.23
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[1-(phenylcarbamoyl)piperidine-4-carbonyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[1-(phenylcarbamoyl)piperidine-4-carbonyl]piperazine-1-carboxylate (CID 9164934) is ethyl 4-[1-(phenylcarbamoyl)piperidine-4-carbonyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[1-(phenylcarbamoyl)piperidine-4-carbonyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[1-(phenylcarbamoyl)piperidine-4-carbonyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)C2CCN(C(=O)Nc3ccccc3)CC2)CC1.
What is the InChIKey of ethyl 4-[1-(phenylcarbamoyl)piperidine-4-carbonyl]piperazine-1-carboxylate?
The InChIKey is ZNHBKUWMFWCIIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O4/c1-2-28-20(27)24-14-12-22(13-15-24)18(25)16-8-10-23(11-9-16)19(26)21-17-6-4-3-5-7-17/h3-7,16H,2,8-15H2,1H3,(H,21,26).
What are the key properties of ethyl 4-[1-(phenylcarbamoyl)piperidine-4-carbonyl]piperazine-1-carboxylate?
ethyl 4-[1-(phenylcarbamoyl)piperidine-4-carbonyl]piperazine-1-carboxylate has a molecular weight of 388.47 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[1-(phenylcarbamoyl)piperidine-4-carbonyl]piperazine-1-carboxylate is sourced from PubChem (CID 9164934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).