N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-3-phenoxypropanamide

C18H27N3O3 — CID 110287178

IUPACN-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-3-phenoxypropanamide
SMILESCCN1CCN(C(=O)CCNC(=O)CCOc2ccccc2)CC1
InChIInChI=1S/C18H27N3O3/c1-2-20-11-13-21(14-12-20)18(23)8-10-19-17(22)9-15-24-16-6-4-3-5-7-16/h3-7H,2,8-15H2,1H3,(H,19,22)
InChIKeyRGZGJCVIVUHRLV-UHFFFAOYSA-N
MW333.43 g/mol
LogP1.13
Rot. Bonds8

About N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-3-phenoxypropanamide

N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-3-phenoxypropanamide (PubChem CID 110287178) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-3-phenoxypropanamide.

Molecular Properties

Compound NameN-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-3-phenoxypropanamide
PubChem CID110287178
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC NameN-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-3-phenoxypropanamide
SMILESCCN1CCN(C(=O)CCNC(=O)CCOc2ccccc2)CC1
InChIInChI=1S/C18H27N3O3/c1-2-20-11-13-21(14-12-20)18(23)8-10-19-17(22)9-15-24-16-6-4-3-5-7-16/h3-7H,2,8-15H2,1H3,(H,19,22)
InChIKeyRGZGJCVIVUHRLV-UHFFFAOYSA-N
XLogP1.13
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-phenoxy-1-(4-propanoylpiperazin-1-yl)propan-1-one
CID 110817115
N-(2-oxo-2-piperazin-1-ylethyl)-3-phenoxypropanamide
CID 28708780
4-phenoxy-1-[4-(3-phenoxypropanoyl)piperazin-1-yl]butan-1-one
CID 108536243
N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]propanamide
CID 110287317
N-(2-acetamidoethyl)-3-phenoxypropanamide
CID 46684252
N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-2-(4-methylphenoxy)acetamide
CID 110287343
1-[4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl]-3-phenoxypropan-1-one
CID 110638149
1-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-3-phenoxypropan-1-one
CID 113074785
N-[2-(ethylamino)ethyl]-3-phenoxypropanamide;hydrochloride
CID 119506555
3-phenoxy-N-[2-(propylamino)ethyl]propanamide
CID 62658597
N-cyclopropyl-2-[4-(3-phenoxypropanoyl)piperazin-1-yl]acetamide
CID 110709703
3-phenoxy-1-(4-prop-2-enylpiperazin-1-yl)propan-1-one
CID 113072705

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-3-phenoxypropanamide?
The IUPAC name of N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-3-phenoxypropanamide (CID 110287178) is N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-3-phenoxypropanamide.
What is the SMILES notation for N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-3-phenoxypropanamide?
The canonical SMILES for N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-3-phenoxypropanamide is CCN1CCN(C(=O)CCNC(=O)CCOc2ccccc2)CC1.
What is the InChIKey of N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-3-phenoxypropanamide?
The InChIKey is RGZGJCVIVUHRLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3/c1-2-20-11-13-21(14-12-20)18(23)8-10-19-17(22)9-15-24-16-6-4-3-5-7-16/h3-7H,2,8-15H2,1H3,(H,19,22).
What are the key properties of N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-3-phenoxypropanamide?
N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-3-phenoxypropanamide has a molecular weight of 333.43 g/mol, XLogP of 1.13, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-3-phenoxypropanamide is sourced from PubChem (CID 110287178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).