N,N-diethyl-2-(4-fluorophenyl)-2-(3-methylpiperazin-1-yl)acetamide

C17H26FN3O — CID 83978117

IUPACN,N-diethyl-2-(4-fluorophenyl)-2-(3-methylpiperazin-1-yl)acetamide
SMILESCCN(CC)C(=O)C(c1ccc(F)cc1)N1CCNC(C)C1
InChIInChI=1S/C17H26FN3O/c1-4-20(5-2)17(22)16(14-6-8-15(18)9-7-14)21-11-10-19-13(3)12-21/h6-9,13,16,19H,4-5,10-12H2,1-3H3
InChIKeyOIMLORPGWOHYSH-UHFFFAOYSA-N
MW307.41 g/mol
LogP2.03
Rot. Bonds5

About N,N-diethyl-2-(4-fluorophenyl)-2-(3-methylpiperazin-1-yl)acetamide

N,N-diethyl-2-(4-fluorophenyl)-2-(3-methylpiperazin-1-yl)acetamide (PubChem CID 83978117) has the molecular formula C17H26FN3O and a molecular weight of 307.41 g/mol. Its IUPAC name is N,N-diethyl-2-(4-fluorophenyl)-2-(3-methylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-(4-fluorophenyl)-2-(3-methylpiperazin-1-yl)acetamide
PubChem CID83978117
Molecular FormulaC17H26FN3O
Molecular Weight307.41 g/mol
Exact Mass307.21
IUPAC NameN,N-diethyl-2-(4-fluorophenyl)-2-(3-methylpiperazin-1-yl)acetamide
SMILESCCN(CC)C(=O)C(c1ccc(F)cc1)N1CCNC(C)C1
InChIInChI=1S/C17H26FN3O/c1-4-20(5-2)17(22)16(14-6-8-15(18)9-7-14)21-11-10-19-13(3)12-21/h6-9,13,16,19H,4-5,10-12H2,1-3H3
InChIKeyOIMLORPGWOHYSH-UHFFFAOYSA-N
XLogP2.03
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.41
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,2-difluoroethyl)-2-(4-fluorophenyl)-2-(3-methylpiperazin-1-yl)acetamide
CID 156555624
N,N-diethyl-2-(4-methylphenyl)-2-piperazin-1-ylacetamide
CID 83978321
(3S)-1-[(1S)-1-(4-fluorophenyl)ethyl]-3-methylpiperazine
CID 96801118
2-(3-chloro-4-ethoxyphenyl)-N,N-dimethyl-2-(3-methylpiperazin-1-yl)acetamide
CID 83979862
N,N-diethyl-2-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]propanamide
CID 111109173
1-[2-(4-fluorophenyl)-2-(3-methylpiperazin-1-yl)ethyl]piperidin-4-ol
CID 83978195
1-[1-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-3-methylpiperazine
CID 83978178
2-(3-chloro-4-ethoxyphenyl)-2-(3-methylpiperazin-1-yl)acetic acid
CID 83979858
2-(3-bromo-4-hydroxyphenyl)-2-(3-methylpiperazin-1-yl)acetic acid
CID 83979683
2-(3-methylpiperazin-1-yl)-2-pyridin-2-ylacetic acid
CID 83980090
1-[bis[4-(difluoromethyl)phenyl]methyl]-3-methylpiperazine
CID 170615246
2-(2-chloro-6-fluorophenyl)-2-(3-methylpiperazin-1-yl)acetic acid
CID 83978415

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-(4-fluorophenyl)-2-(3-methylpiperazin-1-yl)acetamide?
The IUPAC name of N,N-diethyl-2-(4-fluorophenyl)-2-(3-methylpiperazin-1-yl)acetamide (CID 83978117) is N,N-diethyl-2-(4-fluorophenyl)-2-(3-methylpiperazin-1-yl)acetamide.
What is the SMILES notation for N,N-diethyl-2-(4-fluorophenyl)-2-(3-methylpiperazin-1-yl)acetamide?
The canonical SMILES for N,N-diethyl-2-(4-fluorophenyl)-2-(3-methylpiperazin-1-yl)acetamide is CCN(CC)C(=O)C(c1ccc(F)cc1)N1CCNC(C)C1.
What is the InChIKey of N,N-diethyl-2-(4-fluorophenyl)-2-(3-methylpiperazin-1-yl)acetamide?
The InChIKey is OIMLORPGWOHYSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FN3O/c1-4-20(5-2)17(22)16(14-6-8-15(18)9-7-14)21-11-10-19-13(3)12-21/h6-9,13,16,19H,4-5,10-12H2,1-3H3.
What are the key properties of N,N-diethyl-2-(4-fluorophenyl)-2-(3-methylpiperazin-1-yl)acetamide?
N,N-diethyl-2-(4-fluorophenyl)-2-(3-methylpiperazin-1-yl)acetamide has a molecular weight of 307.41 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-(4-fluorophenyl)-2-(3-methylpiperazin-1-yl)acetamide is sourced from PubChem (CID 83978117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).