N-[(4-chlorophenyl)methyl]-2-[1-[(2-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetamide

C20H21ClFN3O2 — CID 45209913

IUPACN-[(4-chlorophenyl)methyl]-2-[1-[(2-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetamide
SMILESO=C(CC1C(=O)NCCN1Cc1ccccc1F)NCc1ccc(Cl)cc1
InChIInChI=1S/C20H21ClFN3O2/c21-16-7-5-14(6-8-16)12-24-19(26)11-18-20(27)23-9-10-25(18)13-15-3-1-2-4-17(15)22/h1-8,18H,9-13H2,(H,23,27)(H,24,26)
InChIKeyVWVDORRFTPHGNL-UHFFFAOYSA-N
MW389.86 g/mol
LogP2.49
Rot. Bonds6

About N-[(4-chlorophenyl)methyl]-2-[1-[(2-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetamide

N-[(4-chlorophenyl)methyl]-2-[1-[(2-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetamide (PubChem CID 45209913) has the molecular formula C20H21ClFN3O2 and a molecular weight of 389.86 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-[1-[(2-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2-[1-[(2-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetamide
PubChem CID45209913
Molecular FormulaC20H21ClFN3O2
Molecular Weight389.86 g/mol
Exact Mass389.13
IUPAC NameN-[(4-chlorophenyl)methyl]-2-[1-[(2-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetamide
SMILESO=C(CC1C(=O)NCCN1Cc1ccccc1F)NCc1ccc(Cl)cc1
InChIInChI=1S/C20H21ClFN3O2/c21-16-7-5-14(6-8-16)12-24-19(26)11-18-20(27)23-9-10-25(18)13-15-3-1-2-4-17(15)22/h1-8,18H,9-13H2,(H,23,27)(H,24,26)
InChIKeyVWVDORRFTPHGNL-UHFFFAOYSA-N
XLogP2.49
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.86
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-chlorophenyl)methyl]-2-[1-[(2-methylphenyl)methyl]-3-oxopiperazin-2-yl]acetamide
CID 45187128
2-[(2R)-1-[(2-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]acetamide
CID 42198652
2-[1-[(2-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-[(2-methoxyphenyl)methyl]acetamide
CID 45198435
2-[(2R)-1-[(2-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-(2H-tetrazol-5-ylmethyl)acetamide
CID 95715258
N-(2-acetamidoethyl)-2-[1-[(2-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetamide
CID 56903638
2-[(2S)-1-[(2,3-difluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 42393983
2-[(2S)-1-[(2,3-dimethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 42215171
2-[1-[(2,3-difluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 45187962
2-[1-[(4-chloro-3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 45179991
methyl 4-[[[2-[(2R)-1-(naphthalen-1-ylmethyl)-3-oxopiperazin-2-yl]acetyl]amino]methyl]benzoate
CID 25461128
N-(2-amino-2-oxoethyl)-2-[(2R)-1-[(2,3-difluorophenyl)methyl]-3-oxopiperazin-2-yl]acetamide
CID 95723179
2-(1-benzyl-3-oxopiperazin-2-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 45206372

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2-[1-[(2-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2-[1-[(2-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetamide (CID 45209913) is N-[(4-chlorophenyl)methyl]-2-[1-[(2-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-[1-[(2-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-[1-[(2-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetamide is O=C(CC1C(=O)NCCN1Cc1ccccc1F)NCc1ccc(Cl)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-[1-[(2-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetamide?
The InChIKey is VWVDORRFTPHGNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClFN3O2/c21-16-7-5-14(6-8-16)12-24-19(26)11-18-20(27)23-9-10-25(18)13-15-3-1-2-4-17(15)22/h1-8,18H,9-13H2,(H,23,27)(H,24,26).
What are the key properties of N-[(4-chlorophenyl)methyl]-2-[1-[(2-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetamide?
N-[(4-chlorophenyl)methyl]-2-[1-[(2-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetamide has a molecular weight of 389.86 g/mol, XLogP of 2.49, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-2-[1-[(2-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetamide is sourced from PubChem (CID 45209913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).