N-[4-(2-chlorophenoxy)phenyl]-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]acetamide

C24H29ClN4O4 — CID 30739596

IUPACN-[4-(2-chlorophenoxy)phenyl]-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(CC(=O)N2CCOCC2)CC1)Nc1ccc(Oc2ccccc2Cl)cc1
InChIInChI=1S/C24H29ClN4O4/c25-21-3-1-2-4-22(21)33-20-7-5-19(6-8-20)26-23(30)17-27-9-11-28(12-10-27)18-24(31)29-13-15-32-16-14-29/h1-8H,9-18H2,(H,26,30)
InChIKeySODHRKAAYHSQTI-UHFFFAOYSA-N
MW472.97 g/mol
LogP2.55
Rot. Bonds7

About N-[4-(2-chlorophenoxy)phenyl]-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]acetamide

N-[4-(2-chlorophenoxy)phenyl]-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]acetamide (PubChem CID 30739596) has the molecular formula C24H29ClN4O4 and a molecular weight of 472.97 g/mol. Its IUPAC name is N-[4-(2-chlorophenoxy)phenyl]-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[4-(2-chlorophenoxy)phenyl]-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]acetamide
PubChem CID30739596
Molecular FormulaC24H29ClN4O4
Molecular Weight472.97 g/mol
Exact Mass472.19
IUPAC NameN-[4-(2-chlorophenoxy)phenyl]-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(CC(=O)N2CCOCC2)CC1)Nc1ccc(Oc2ccccc2Cl)cc1
InChIInChI=1S/C24H29ClN4O4/c25-21-3-1-2-4-22(21)33-20-7-5-19(6-8-20)26-23(30)17-27-9-11-28(12-10-27)18-24(31)29-13-15-32-16-14-29/h1-8H,9-18H2,(H,26,30)
InChIKeySODHRKAAYHSQTI-UHFFFAOYSA-N
XLogP2.55
TPSA74.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.97
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[2-[4-(2-chlorophenoxy)anilino]-2-oxoethyl]-N-ethylpiperazine-1-carboxamide
CID 78827977
N-(3,4-dichlorophenyl)-2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]acetamide
CID 78835221
2-(2-chlorophenoxy)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]propanamide
CID 42953030
3-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-N-(2-phenoxyphenyl)propanamide
CID 30722426
N-[4-(4-methylphenoxy)phenyl]-2-morpholin-4-ylacetamide
CID 8903812
1-morpholin-4-yl-2-[4-[(2-phenoxyphenyl)methyl]piperazin-1-yl]ethanone
CID 17445200
N-(2-chlorophenyl)-4-(2-morpholin-4-yl-2-oxoethyl)piperazine-1-carboxamide
CID 78802177
2-pyrrolidin-1-yl-N-[4-[4-[(2-pyrrolidin-1-ylacetyl)amino]phenoxy]phenyl]acetamide
CID 647483
N-[4-(2-chlorophenoxy)phenyl]-2-cyanoacetamide
CID 168524296
N-(4-fluorophenyl)-2-[4-(morpholine-4-carbonyl)piperazin-1-yl]acetamide
CID 1091485
N-(4-chloro-3-nitrophenyl)-2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]acetamide
CID 55498242
2-[13-(2-anilino-2-oxoethyl)-1,4,10-trioxa-7,13-diazacyclopentadec-7-yl]-N-phenylacetamide
CID 649229

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-chlorophenoxy)phenyl]-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]acetamide?
The IUPAC name of N-[4-(2-chlorophenoxy)phenyl]-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]acetamide (CID 30739596) is N-[4-(2-chlorophenoxy)phenyl]-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-[4-(2-chlorophenoxy)phenyl]-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-[4-(2-chlorophenoxy)phenyl]-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]acetamide is O=C(CN1CCN(CC(=O)N2CCOCC2)CC1)Nc1ccc(Oc2ccccc2Cl)cc1.
What is the InChIKey of N-[4-(2-chlorophenoxy)phenyl]-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]acetamide?
The InChIKey is SODHRKAAYHSQTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29ClN4O4/c25-21-3-1-2-4-22(21)33-20-7-5-19(6-8-20)26-23(30)17-27-9-11-28(12-10-27)18-24(31)29-13-15-32-16-14-29/h1-8H,9-18H2,(H,26,30).
What are the key properties of N-[4-(2-chlorophenoxy)phenyl]-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]acetamide?
N-[4-(2-chlorophenoxy)phenyl]-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]acetamide has a molecular weight of 472.97 g/mol, XLogP of 2.55, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-chlorophenoxy)phenyl]-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 30739596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).