N-cyclopropyl-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]acetamide

C18H25N3O3 — CID 113158386

IUPACN-cyclopropyl-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]acetamide
SMILESCOc1ccc(N2CCN(C(=O)CN(C(C)=O)C3CC3)CC2)cc1
InChIInChI=1S/C18H25N3O3/c1-14(22)21(16-3-4-16)13-18(23)20-11-9-19(10-12-20)15-5-7-17(24-2)8-6-15/h5-8,16H,3-4,9-13H2,1-2H3
InChIKeyKUGAQNARKLINNK-UHFFFAOYSA-N
MW331.42 g/mol
LogP1.35
Rot. Bonds5

About N-cyclopropyl-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]acetamide

N-cyclopropyl-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]acetamide (PubChem CID 113158386) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is N-cyclopropyl-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]acetamide
PubChem CID113158386
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC NameN-cyclopropyl-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]acetamide
SMILESCOc1ccc(N2CCN(C(=O)CN(C(C)=O)C3CC3)CC2)cc1
InChIInChI=1S/C18H25N3O3/c1-14(22)21(16-3-4-16)13-18(23)20-11-9-19(10-12-20)15-5-7-17(24-2)8-6-15/h5-8,16H,3-4,9-13H2,1-2H3
InChIKeyKUGAQNARKLINNK-UHFFFAOYSA-N
XLogP1.35
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopentyl-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]acetamide
CID 113159295
4-[[cyclopropyl-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]amino]methyl]benzamide
CID 46567938
2-methoxy-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
CID 60637810
2-chloro-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone;hydrochloride
CID 43810420
1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-(methylamino)ethanone
CID 24702790
N-cyclopentyl-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]acetamide
CID 113159270
2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
CID 8012085
1-[4-(4-methoxyphenyl)-1,4-diazepan-1-yl]propan-1-one
CID 58748767
1-(4-acetylpiperazin-1-yl)-3-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 109018165
N-ethyl-2-[ethyl-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]amino]acetamide
CID 9433381
2-(4-methoxy-N-[2-[4-(4-methylphenyl)piperazin-1-yl]-2-oxoethyl]anilino)acetic acid
CID 25220045
N-(3-cyanophenyl)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]acetamide
CID 113180909

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]acetamide?
The IUPAC name of N-cyclopropyl-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]acetamide (CID 113158386) is N-cyclopropyl-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]acetamide.
What is the SMILES notation for N-cyclopropyl-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]acetamide?
The canonical SMILES for N-cyclopropyl-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]acetamide is COc1ccc(N2CCN(C(=O)CN(C(C)=O)C3CC3)CC2)cc1.
What is the InChIKey of N-cyclopropyl-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]acetamide?
The InChIKey is KUGAQNARKLINNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3/c1-14(22)21(16-3-4-16)13-18(23)20-11-9-19(10-12-20)15-5-7-17(24-2)8-6-15/h5-8,16H,3-4,9-13H2,1-2H3.
What are the key properties of N-cyclopropyl-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]acetamide?
N-cyclopropyl-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]acetamide has a molecular weight of 331.42 g/mol, XLogP of 1.35, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]acetamide is sourced from PubChem (CID 113158386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).