2-[4-(2-carbamoyloxyethyl)piperazin-1-yl]ethyl N,N-diphenylcarbamate

C22H28N4O4 — CID 139677499

IUPAC2-[4-(2-carbamoyloxyethyl)piperazin-1-yl]ethyl N,N-diphenylcarbamate
SMILESNC(=O)OCCN1CCN(CCOC(=O)N(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C22H28N4O4/c23-21(27)29-17-15-24-11-13-25(14-12-24)16-18-30-22(28)26(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-10H,11-18H2,(H2,23,27)
InChIKeyWTDFSGDHWJLMGH-UHFFFAOYSA-N
MW412.49 g/mol
LogP2.67
Rot. Bonds8

About 2-[4-(2-carbamoyloxyethyl)piperazin-1-yl]ethyl N,N-diphenylcarbamate

2-[4-(2-carbamoyloxyethyl)piperazin-1-yl]ethyl N,N-diphenylcarbamate (PubChem CID 139677499) has the molecular formula C22H28N4O4 and a molecular weight of 412.49 g/mol. Its IUPAC name is 2-[4-(2-carbamoyloxyethyl)piperazin-1-yl]ethyl N,N-diphenylcarbamate.

Molecular Properties

Compound Name2-[4-(2-carbamoyloxyethyl)piperazin-1-yl]ethyl N,N-diphenylcarbamate
PubChem CID139677499
Molecular FormulaC22H28N4O4
Molecular Weight412.49 g/mol
Exact Mass412.21
IUPAC Name2-[4-(2-carbamoyloxyethyl)piperazin-1-yl]ethyl N,N-diphenylcarbamate
SMILESNC(=O)OCCN1CCN(CCOC(=O)N(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C22H28N4O4/c23-21(27)29-17-15-24-11-13-25(14-12-24)16-18-30-22(28)26(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-10H,11-18H2,(H2,23,27)
InChIKeyWTDFSGDHWJLMGH-UHFFFAOYSA-N
XLogP2.67
TPSA88.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-carbamoyloxyethyl)piperazin-1-yl]ethyl N,N-diphenylcarbamate?
The IUPAC name of 2-[4-(2-carbamoyloxyethyl)piperazin-1-yl]ethyl N,N-diphenylcarbamate (CID 139677499) is 2-[4-(2-carbamoyloxyethyl)piperazin-1-yl]ethyl N,N-diphenylcarbamate.
What is the SMILES notation for 2-[4-(2-carbamoyloxyethyl)piperazin-1-yl]ethyl N,N-diphenylcarbamate?
The canonical SMILES for 2-[4-(2-carbamoyloxyethyl)piperazin-1-yl]ethyl N,N-diphenylcarbamate is NC(=O)OCCN1CCN(CCOC(=O)N(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 2-[4-(2-carbamoyloxyethyl)piperazin-1-yl]ethyl N,N-diphenylcarbamate?
The InChIKey is WTDFSGDHWJLMGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O4/c23-21(27)29-17-15-24-11-13-25(14-12-24)16-18-30-22(28)26(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-10H,11-18H2,(H2,23,27).
What are the key properties of 2-[4-(2-carbamoyloxyethyl)piperazin-1-yl]ethyl N,N-diphenylcarbamate?
2-[4-(2-carbamoyloxyethyl)piperazin-1-yl]ethyl N,N-diphenylcarbamate has a molecular weight of 412.49 g/mol, XLogP of 2.67, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-carbamoyloxyethyl)piperazin-1-yl]ethyl N,N-diphenylcarbamate is sourced from PubChem (CID 139677499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).