N-[4-[[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]amino]phenyl]acetamide

C17H26N4O2 — CID 109017571

IUPACN-[4-[[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]amino]phenyl]acetamide
SMILESCCN1CCN(C(=O)CCNc2ccc(NC(C)=O)cc2)CC1
InChIInChI=1S/C17H26N4O2/c1-3-20-10-12-21(13-11-20)17(23)8-9-18-15-4-6-16(7-5-15)19-14(2)22/h4-7,18H,3,8-13H2,1-2H3,(H,19,22)
InChIKeyBMSQHZJMSNXFAT-UHFFFAOYSA-N
MW318.42 g/mol
LogP1.61
Rot. Bonds6

About N-[4-[[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]amino]phenyl]acetamide

N-[4-[[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]amino]phenyl]acetamide (PubChem CID 109017571) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is N-[4-[[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]amino]phenyl]acetamide
PubChem CID109017571
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC NameN-[4-[[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]amino]phenyl]acetamide
SMILESCCN1CCN(C(=O)CCNc2ccc(NC(C)=O)cc2)CC1
InChIInChI=1S/C17H26N4O2/c1-3-20-10-12-21(13-11-20)17(23)8-9-18-15-4-6-16(7-5-15)19-14(2)22/h4-7,18H,3,8-13H2,1-2H3,(H,19,22)
InChIKeyBMSQHZJMSNXFAT-UHFFFAOYSA-N
XLogP1.61
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3,4-dichloroanilino)-1-(4-ethylpiperazin-1-yl)propan-1-one
CID 109017604
3-(2,6-dimethylanilino)-1-(4-ethylpiperazin-1-yl)propan-1-one
CID 109017526
1-(4-acetylpiperazin-1-yl)-3-(4-bromoanilino)propan-1-one
CID 109018200
3-(2,6-dichloroanilino)-1-(4-ethylpiperazin-1-yl)propan-1-one
CID 109017608
1-(4-ethyl-1,4-diazepan-1-yl)-4-(4-nitroanilino)butan-1-one
CID 56786192
1-(4-methylpiperazin-1-yl)-3-[4-(4-methylpiperazin-1-yl)anilino]propan-1-one
CID 109017319
N-[3-[[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]sulfonylamino]phenyl]acetamide
CID 110408469
N-(4-tert-butylphenyl)-4-ethylpiperazine-1-carboxamide
CID 108884847
N-[4-[4-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]phenyl]acetamide
CID 110342188
N-[3-[[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]amino]phenyl]acetamide
CID 109027097
3-(4-ethylanilino)-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propan-1-one
CID 109029986
ethyl 2-[[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]amino]benzoate
CID 109017613

Frequently Asked Questions

What is the IUPAC name of N-[4-[[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]amino]phenyl]acetamide?
The IUPAC name of N-[4-[[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]amino]phenyl]acetamide (CID 109017571) is N-[4-[[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]amino]phenyl]acetamide.
What is the SMILES notation for N-[4-[[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]amino]phenyl]acetamide?
The canonical SMILES for N-[4-[[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]amino]phenyl]acetamide is CCN1CCN(C(=O)CCNc2ccc(NC(C)=O)cc2)CC1.
What is the InChIKey of N-[4-[[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]amino]phenyl]acetamide?
The InChIKey is BMSQHZJMSNXFAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-3-20-10-12-21(13-11-20)17(23)8-9-18-15-4-6-16(7-5-15)19-14(2)22/h4-7,18H,3,8-13H2,1-2H3,(H,19,22).
What are the key properties of N-[4-[[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]amino]phenyl]acetamide?
N-[4-[[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]amino]phenyl]acetamide has a molecular weight of 318.42 g/mol, XLogP of 1.61, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]amino]phenyl]acetamide is sourced from PubChem (CID 109017571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).