N-(4-fluorophenyl)-2-[4-[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl]piperazin-1-yl]acetamide

C23H29FN4O3 — CID 8719305

IUPACN-(4-fluorophenyl)-2-[4-[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl]piperazin-1-yl]acetamide
SMILESCOc1ccccc1CN(C)C(=O)CN1CCN(CC(=O)Nc2ccc(F)cc2)CC1
InChIInChI=1S/C23H29FN4O3/c1-26(15-18-5-3-4-6-21(18)31-2)23(30)17-28-13-11-27(12-14-28)16-22(29)25-20-9-7-19(24)8-10-20/h3-10H,11-17H2,1-2H3,(H,25,29)
InChIKeyKNVWJSRJFKACCR-UHFFFAOYSA-N
MW428.51 g/mol
LogP2.05
Rot. Bonds8

About N-(4-fluorophenyl)-2-[4-[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl]piperazin-1-yl]acetamide

N-(4-fluorophenyl)-2-[4-[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl]piperazin-1-yl]acetamide (PubChem CID 8719305) has the molecular formula C23H29FN4O3 and a molecular weight of 428.51 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[4-[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[4-[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl]piperazin-1-yl]acetamide
PubChem CID8719305
Molecular FormulaC23H29FN4O3
Molecular Weight428.51 g/mol
Exact Mass428.22
IUPAC NameN-(4-fluorophenyl)-2-[4-[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl]piperazin-1-yl]acetamide
SMILESCOc1ccccc1CN(C)C(=O)CN1CCN(CC(=O)Nc2ccc(F)cc2)CC1
InChIInChI=1S/C23H29FN4O3/c1-26(15-18-5-3-4-6-21(18)31-2)23(30)17-28-13-11-27(12-14-28)16-22(29)25-20-9-7-19(24)8-10-20/h3-10H,11-17H2,1-2H3,(H,25,29)
InChIKeyKNVWJSRJFKACCR-UHFFFAOYSA-N
XLogP2.05
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.51
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1,4-diazepan-1-yl)-N-[(2-methoxyphenyl)methyl]-N-methylacetamide;hydrochloride
CID 119906324
N-(3-fluorophenyl)-2-[4-[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl]piperazin-1-yl]acetamide
CID 9433653
N-(4-fluorophenyl)-2-[4-[2-(3-methoxyanilino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 7336695
N-(4-ethylphenyl)-2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 9436150
2-[acetyl-[(2-methoxyphenyl)methyl]amino]-N-(4-fluorophenyl)acetamide
CID 113162953
1-[2-(4-fluoroanilino)-2-oxoethyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 16909483
N-[(2-fluorophenyl)methyl]-2-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]-N-methylacetamide
CID 8997704
2-[4-[3-(2-ethoxyphenyl)propanoyl]piperazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 8749262
2-[(2S)-2-[(dimethylamino)methyl]morpholin-4-yl]-N-[(2-methoxyphenyl)methyl]-N-methylacetamide
CID 95351978
2-[4-[2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-2-oxoethyl]piperazin-1-yl]-N-phenylacetamide
CID 31692312
2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 15993712
3-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-N-methylpropanamide
CID 94870765

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-[4-[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl]piperazin-1-yl]acetamide?
The IUPAC name of N-(4-fluorophenyl)-2-[4-[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl]piperazin-1-yl]acetamide (CID 8719305) is N-(4-fluorophenyl)-2-[4-[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[4-[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[4-[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl]piperazin-1-yl]acetamide is COc1ccccc1CN(C)C(=O)CN1CCN(CC(=O)Nc2ccc(F)cc2)CC1.
What is the InChIKey of N-(4-fluorophenyl)-2-[4-[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl]piperazin-1-yl]acetamide?
The InChIKey is KNVWJSRJFKACCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29FN4O3/c1-26(15-18-5-3-4-6-21(18)31-2)23(30)17-28-13-11-27(12-14-28)16-22(29)25-20-9-7-19(24)8-10-20/h3-10H,11-17H2,1-2H3,(H,25,29).
What are the key properties of N-(4-fluorophenyl)-2-[4-[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl]piperazin-1-yl]acetamide?
N-(4-fluorophenyl)-2-[4-[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl]piperazin-1-yl]acetamide has a molecular weight of 428.51 g/mol, XLogP of 2.05, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-[4-[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 8719305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).