N-tert-butyl-2-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]acetamide

C17H25ClFN3O — CID 51199670

IUPACN-tert-butyl-2-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]acetamide
SMILESCC(C)(C)NC(=O)CN1CCN(Cc2ccc(F)cc2Cl)CC1
InChIInChI=1S/C17H25ClFN3O/c1-17(2,3)20-16(23)12-22-8-6-21(7-9-22)11-13-4-5-14(19)10-15(13)18/h4-5,10H,6-9,11-12H2,1-3H3,(H,20,23)
InChIKeyFOSSFOHIIVFDNS-UHFFFAOYSA-N
MW341.86 g/mol
LogP2.51
Rot. Bonds4

About N-tert-butyl-2-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]acetamide

N-tert-butyl-2-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]acetamide (PubChem CID 51199670) has the molecular formula C17H25ClFN3O and a molecular weight of 341.86 g/mol. Its IUPAC name is N-tert-butyl-2-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]acetamide
PubChem CID51199670
Molecular FormulaC17H25ClFN3O
Molecular Weight341.86 g/mol
Exact Mass341.17
IUPAC NameN-tert-butyl-2-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]acetamide
SMILESCC(C)(C)NC(=O)CN1CCN(Cc2ccc(F)cc2Cl)CC1
InChIInChI=1S/C17H25ClFN3O/c1-17(2,3)20-16(23)12-22-8-6-21(7-9-22)11-13-4-5-14(19)10-15(13)18/h4-5,10H,6-9,11-12H2,1-3H3,(H,20,23)
InChIKeyFOSSFOHIIVFDNS-UHFFFAOYSA-N
XLogP2.51
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.86
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-N-(4-methylphenyl)acetamide
CID 22194491
2-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide
CID 46444650
2-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 22194497
2-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-N-(2-methoxyphenyl)acetamide
CID 22194502
2-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-N-[2-(difluoromethylsulfonyl)phenyl]acetamide
CID 37386366
N-(5-acetamido-2-methoxyphenyl)-2-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]acetamide
CID 37385958
2-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 37385902
[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-(4-fluorophenyl)methanone
CID 19291067
N-tert-butyl-2-[4-(2,5-difluorophenyl)sulfonyl-1,4-diazepan-1-yl]acetamide
CID 8843472
(2R)-2-amino-1-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]propan-1-one;dihydrochloride
CID 119853350
N-(2,1,3-benzoxadiazol-4-yl)-2-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]acetamide
CID 17149224
(2S)-2-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-N-(2,2,2-trifluoroethylcarbamoyl)propanamide
CID 37387030

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]acetamide?
The IUPAC name of N-tert-butyl-2-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]acetamide (CID 51199670) is N-tert-butyl-2-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-tert-butyl-2-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-tert-butyl-2-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]acetamide is CC(C)(C)NC(=O)CN1CCN(Cc2ccc(F)cc2Cl)CC1.
What is the InChIKey of N-tert-butyl-2-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]acetamide?
The InChIKey is FOSSFOHIIVFDNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClFN3O/c1-17(2,3)20-16(23)12-22-8-6-21(7-9-22)11-13-4-5-14(19)10-15(13)18/h4-5,10H,6-9,11-12H2,1-3H3,(H,20,23).
What are the key properties of N-tert-butyl-2-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]acetamide?
N-tert-butyl-2-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]acetamide has a molecular weight of 341.86 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 51199670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).