2-[4-[3-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl]piperazin-1-yl]ethyl N-(2-ethoxyphenyl)carbamate

C33H41N5O5 — CID 10099893

IUPAC2-[4-[3-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl]piperazin-1-yl]ethyl N-(2-ethoxyphenyl)carbamate
SMILESCCOc1ccccc1NC(=O)OCCN1CCN(c2cccc(C(=O)N3CCN(c4ccc(OC)cc4)CC3)c2)CC1
InChIInChI=1S/C33H41N5O5/c1-3-42-31-10-5-4-9-30(31)34-33(40)43-24-23-35-15-17-37(18-16-35)28-8-6-7-26(25-28)32(39)38-21-19-36(20-22-38)27-11-13-29(41-2)14-12-27/h4-14,25H,3,15-24H2,1-2H3,(H,34,40)
InChIKeyGGBUKKUIALIPMY-UHFFFAOYSA-N
MW587.72 g/mol
LogP4.43
Rot. Bonds10

About 2-[4-[3-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl]piperazin-1-yl]ethyl N-(2-ethoxyphenyl)carbamate

2-[4-[3-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl]piperazin-1-yl]ethyl N-(2-ethoxyphenyl)carbamate (PubChem CID 10099893) has the molecular formula C33H41N5O5 and a molecular weight of 587.72 g/mol. Its IUPAC name is 2-[4-[3-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl]piperazin-1-yl]ethyl N-(2-ethoxyphenyl)carbamate.

Molecular Properties

Compound Name2-[4-[3-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl]piperazin-1-yl]ethyl N-(2-ethoxyphenyl)carbamate
PubChem CID10099893
Molecular FormulaC33H41N5O5
Molecular Weight587.72 g/mol
Exact Mass587.31
IUPAC Name2-[4-[3-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl]piperazin-1-yl]ethyl N-(2-ethoxyphenyl)carbamate
SMILESCCOc1ccccc1NC(=O)OCCN1CCN(c2cccc(C(=O)N3CCN(c4ccc(OC)cc4)CC3)c2)CC1
InChIInChI=1S/C33H41N5O5/c1-3-42-31-10-5-4-9-30(31)34-33(40)43-24-23-35-15-17-37(18-16-35)28-8-6-7-26(25-28)32(39)38-21-19-36(20-22-38)27-11-13-29(41-2)14-12-27/h4-14,25H,3,15-24H2,1-2H3,(H,34,40)
InChIKeyGGBUKKUIALIPMY-UHFFFAOYSA-N
XLogP4.43
TPSA86.82 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500587.72
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-[4-[3-[4-(4-methoxyphenyl)butanoylamino]phenyl]piperazin-1-yl]ethyl N-(2-ethoxyphenyl)carbamate
CID 10347794
2-[4-[3-(pyridine-3-carbonylamino)phenyl]piperazin-1-yl]ethyl N-(2-ethoxyphenyl)carbamate
CID 10345437
N-(2-ethoxyphenyl)-4-(3-methoxyphenyl)piperazine-1-carboxamide
CID 113113542
3-[4-(4-fluorophenyl)piperazin-1-yl]propyl N-(2-ethoxyphenyl)carbamate
CID 58904617
2-[4-[3-(hexanoylamino)phenyl]piperazin-1-yl]ethyl N-(2-ethoxyphenyl)carbamate
CID 10073988
2-[4-[3-[3-(diethylamino)propanoylamino]phenyl]piperazin-1-yl]ethyl N-(2-ethoxyphenyl)carbamate
CID 10481487
3-(4-phenylpiperazin-1-yl)propyl N-(2-methoxyphenyl)carbamate
CID 58904598
2-[4-[3-(thiophen-2-ylmethylcarbamoylamino)phenyl]piperazin-1-yl]ethyl N-(2-ethoxyphenyl)carbamate
CID 10369509
3-[4-(3-methylphenyl)piperazin-1-yl]propyl N-(2-methoxyphenyl)carbamate
CID 58904664
N-(2-ethoxyphenyl)-1-(3-methoxybenzoyl)piperidine-4-carboxamide
CID 113007539
N-(2-ethoxyphenyl)-4-phenylpiperazine-1-carboxamide
CID 108989544
(4-ethoxyphenyl)-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]methanone
CID 71571371

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl]piperazin-1-yl]ethyl N-(2-ethoxyphenyl)carbamate?
The IUPAC name of 2-[4-[3-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl]piperazin-1-yl]ethyl N-(2-ethoxyphenyl)carbamate (CID 10099893) is 2-[4-[3-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl]piperazin-1-yl]ethyl N-(2-ethoxyphenyl)carbamate.
What is the SMILES notation for 2-[4-[3-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl]piperazin-1-yl]ethyl N-(2-ethoxyphenyl)carbamate?
The canonical SMILES for 2-[4-[3-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl]piperazin-1-yl]ethyl N-(2-ethoxyphenyl)carbamate is CCOc1ccccc1NC(=O)OCCN1CCN(c2cccc(C(=O)N3CCN(c4ccc(OC)cc4)CC3)c2)CC1.
What is the InChIKey of 2-[4-[3-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl]piperazin-1-yl]ethyl N-(2-ethoxyphenyl)carbamate?
The InChIKey is GGBUKKUIALIPMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H41N5O5/c1-3-42-31-10-5-4-9-30(31)34-33(40)43-24-23-35-15-17-37(18-16-35)28-8-6-7-26(25-28)32(39)38-21-19-36(20-22-38)27-11-13-29(41-2)14-12-27/h4-14,25H,3,15-24H2,1-2H3,(H,34,40).
What are the key properties of 2-[4-[3-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl]piperazin-1-yl]ethyl N-(2-ethoxyphenyl)carbamate?
2-[4-[3-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl]piperazin-1-yl]ethyl N-(2-ethoxyphenyl)carbamate has a molecular weight of 587.72 g/mol, XLogP of 4.43, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl]piperazin-1-yl]ethyl N-(2-ethoxyphenyl)carbamate is sourced from PubChem (CID 10099893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).