ethyl N-[4-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]phenyl]carbamate

C19H30N4O3 — CID 110292016

IUPACethyl N-[4-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]phenyl]carbamate
SMILESCCOC(=O)Nc1ccc(N2CCN(CCN3CCOCC3)CC2)cc1
InChIInChI=1S/C19H30N4O3/c1-2-26-19(24)20-17-3-5-18(6-4-17)23-11-9-21(10-12-23)7-8-22-13-15-25-16-14-22/h3-6H,2,7-16H2,1H3,(H,20,24)
InChIKeyWKYJJASSESCQIH-UHFFFAOYSA-N
MW362.47 g/mol
LogP1.71
Rot. Bonds6

About ethyl N-[4-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]phenyl]carbamate

ethyl N-[4-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]phenyl]carbamate (PubChem CID 110292016) has the molecular formula C19H30N4O3 and a molecular weight of 362.47 g/mol. Its IUPAC name is ethyl N-[4-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]phenyl]carbamate.

Molecular Properties

Compound Nameethyl N-[4-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]phenyl]carbamate
PubChem CID110292016
Molecular FormulaC19H30N4O3
Molecular Weight362.47 g/mol
Exact Mass362.23
IUPAC Nameethyl N-[4-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]phenyl]carbamate
SMILESCCOC(=O)Nc1ccc(N2CCN(CCN3CCOCC3)CC2)cc1
InChIInChI=1S/C19H30N4O3/c1-2-26-19(24)20-17-3-5-18(6-4-17)23-11-9-21(10-12-23)7-8-22-13-15-25-16-14-22/h3-6H,2,7-16H2,1H3,(H,20,24)
InChIKeyWKYJJASSESCQIH-UHFFFAOYSA-N
XLogP1.71
TPSA57.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

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2-(ethylamino)-N-(4-morpholin-4-ylphenyl)acetamide;dihydrochloride
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Frequently Asked Questions

What is the IUPAC name of ethyl N-[4-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]phenyl]carbamate?
The IUPAC name of ethyl N-[4-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]phenyl]carbamate (CID 110292016) is ethyl N-[4-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]phenyl]carbamate.
What is the SMILES notation for ethyl N-[4-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]phenyl]carbamate?
The canonical SMILES for ethyl N-[4-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]phenyl]carbamate is CCOC(=O)Nc1ccc(N2CCN(CCN3CCOCC3)CC2)cc1.
What is the InChIKey of ethyl N-[4-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]phenyl]carbamate?
The InChIKey is WKYJJASSESCQIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O3/c1-2-26-19(24)20-17-3-5-18(6-4-17)23-11-9-21(10-12-23)7-8-22-13-15-25-16-14-22/h3-6H,2,7-16H2,1H3,(H,20,24).
What are the key properties of ethyl N-[4-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]phenyl]carbamate?
ethyl N-[4-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]phenyl]carbamate has a molecular weight of 362.47 g/mol, XLogP of 1.71, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[4-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]phenyl]carbamate is sourced from PubChem (CID 110292016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).