N-benzyl-N-cyclopropyl-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide

C22H26FN3O — CID 120756533

IUPACN-benzyl-N-cyclopropyl-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide
SMILESO=C(CN1CCNCC1c1cccc(F)c1)N(Cc1ccccc1)C1CC1
InChIInChI=1S/C22H26FN3O/c23-19-8-4-7-18(13-19)21-14-24-11-12-25(21)16-22(27)26(20-9-10-20)15-17-5-2-1-3-6-17/h1-8,13,20-21,24H,9-12,14-16H2
InChIKeyQQTUNKCVOFITEV-UHFFFAOYSA-N
MW367.47 g/mol
LogP2.96
Rot. Bonds6

About N-benzyl-N-cyclopropyl-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide

N-benzyl-N-cyclopropyl-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide (PubChem CID 120756533) has the molecular formula C22H26FN3O and a molecular weight of 367.47 g/mol. Its IUPAC name is N-benzyl-N-cyclopropyl-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-benzyl-N-cyclopropyl-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide
PubChem CID120756533
Molecular FormulaC22H26FN3O
Molecular Weight367.47 g/mol
Exact Mass367.21
IUPAC NameN-benzyl-N-cyclopropyl-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide
SMILESO=C(CN1CCNCC1c1cccc(F)c1)N(Cc1ccccc1)C1CC1
InChIInChI=1S/C22H26FN3O/c23-19-8-4-7-18(13-19)21-14-24-11-12-25(21)16-22(27)26(20-9-10-20)15-17-5-2-1-3-6-17/h1-8,13,20-21,24H,9-12,14-16H2
InChIKeyQQTUNKCVOFITEV-UHFFFAOYSA-N
XLogP2.96
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohexyl-2-[2-(3-fluorophenyl)piperazin-1-yl]-N-methylacetamide
CID 120756349
N-[(2-fluorophenyl)methyl]-2-[2-(3-fluorophenyl)piperazin-1-yl]-N-methylacetamide
CID 120756417
2-[benzyl(methyl)amino]-1-[2-(3-fluorophenyl)piperazin-1-yl]ethanone
CID 120737496
N-cyclopropyl-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide
CID 120756405
N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide
CID 120755033
1-(cyclopropylmethyl)-2-(3-fluorophenyl)piperazine;hydrochloride
CID 120768681
N-[(3-chlorophenyl)methyl]-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide
CID 120756501
N-(4-fluorophenyl)-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide;hydrochloride
CID 120756678
2-[2-(3-fluorophenyl)piperazin-1-yl]-1-morpholin-4-ylethanone
CID 120756389
N-[2-(4-fluorophenyl)ethyl]-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide
CID 120756211
2-[2-(3-fluorophenyl)piperazin-1-yl]-N-propylacetamide
CID 120756453
2-[2-(3-fluorophenyl)piperazin-1-yl]-N-(3-methylbutan-2-yl)acetamide;hydrochloride
CID 120756468

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-cyclopropyl-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide?
The IUPAC name of N-benzyl-N-cyclopropyl-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide (CID 120756533) is N-benzyl-N-cyclopropyl-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-benzyl-N-cyclopropyl-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-benzyl-N-cyclopropyl-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide is O=C(CN1CCNCC1c1cccc(F)c1)N(Cc1ccccc1)C1CC1.
What is the InChIKey of N-benzyl-N-cyclopropyl-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide?
The InChIKey is QQTUNKCVOFITEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN3O/c23-19-8-4-7-18(13-19)21-14-24-11-12-25(21)16-22(27)26(20-9-10-20)15-17-5-2-1-3-6-17/h1-8,13,20-21,24H,9-12,14-16H2.
What are the key properties of N-benzyl-N-cyclopropyl-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide?
N-benzyl-N-cyclopropyl-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide has a molecular weight of 367.47 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-cyclopropyl-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 120756533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).