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

C13H16ClN3O2 — CID 54794658

IUPACN-[(2-chlorophenyl)methyl]-2-(3-oxopiperazin-2-yl)acetamide
SMILESO=C(CC1NCCNC1=O)NCc1ccccc1Cl
InChIInChI=1S/C13H16ClN3O2/c14-10-4-2-1-3-9(10)8-17-12(18)7-11-13(19)16-6-5-15-11/h1-4,11,15H,5-8H2,(H,16,19)(H,17,18)
InChIKeyCIKUZILVPCKBPI-UHFFFAOYSA-N
MW281.74 g/mol
LogP0.43
Rot. Bonds4

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

N-[(2-chlorophenyl)methyl]-2-(3-oxopiperazin-2-yl)acetamide (PubChem CID 54794658) has the molecular formula C13H16ClN3O2 and a molecular weight of 281.74 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-2-(3-oxopiperazin-2-yl)acetamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-2-(3-oxopiperazin-2-yl)acetamide
PubChem CID54794658
Molecular FormulaC13H16ClN3O2
Molecular Weight281.74 g/mol
Exact Mass281.09
IUPAC NameN-[(2-chlorophenyl)methyl]-2-(3-oxopiperazin-2-yl)acetamide
SMILESO=C(CC1NCCNC1=O)NCc1ccccc1Cl
InChIInChI=1S/C13H16ClN3O2/c14-10-4-2-1-3-9(10)8-17-12(18)7-11-13(19)16-6-5-15-11/h1-4,11,15H,5-8H2,(H,16,19)(H,17,18)
InChIKeyCIKUZILVPCKBPI-UHFFFAOYSA-N
XLogP0.43
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.74
LogP ≤ 50.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-2-[(2R)-3-oxopiperazin-2-yl]acetamide
CID 41385144
N-[(2-chlorophenyl)methyl]-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide
CID 80520515
N-(3,4-dichlorophenyl)-2-[(2R)-3-oxopiperazin-2-yl]acetamide
CID 944506
methyl 2-[(2R)-1-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-3-oxopiperazin-1-ium-2-yl]acetate
CID 8560915
N-(2,3-dihydro-1H-inden-2-yl)-2-[(2S)-3-oxopiperazin-2-yl]acetamide
CID 6931256
2-[4-[(2-chlorophenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-hydroxyethyl)acetamide;hydrochloride
CID 110283855
2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[(2-chlorophenyl)methyl]acetamide
CID 9165301
N-[(2-chlorophenyl)methyl]-2-(4-methyl-2,6-dioxo-1,3-diazinan-5-yl)acetamide
CID 74925233
N-[(2-chlorophenyl)methyl]-3-piperidin-4-ylpropanamide
CID 62212576
N-[(2-chlorophenyl)methyl]-2-(2,6-dichlorophenyl)acetamide
CID 2679601
N-[(2-chlorophenyl)methyl]cyclopropanecarboxamide
CID 899098
3-chloro-N-[(2-chlorophenyl)methyl]propanamide
CID 17126907

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-2-(3-oxopiperazin-2-yl)acetamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-2-(3-oxopiperazin-2-yl)acetamide (CID 54794658) is N-[(2-chlorophenyl)methyl]-2-(3-oxopiperazin-2-yl)acetamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-2-(3-oxopiperazin-2-yl)acetamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-2-(3-oxopiperazin-2-yl)acetamide is O=C(CC1NCCNC1=O)NCc1ccccc1Cl.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-2-(3-oxopiperazin-2-yl)acetamide?
The InChIKey is CIKUZILVPCKBPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O2/c14-10-4-2-1-3-9(10)8-17-12(18)7-11-13(19)16-6-5-15-11/h1-4,11,15H,5-8H2,(H,16,19)(H,17,18).
What are the key properties of N-[(2-chlorophenyl)methyl]-2-(3-oxopiperazin-2-yl)acetamide?
N-[(2-chlorophenyl)methyl]-2-(3-oxopiperazin-2-yl)acetamide has a molecular weight of 281.74 g/mol, XLogP of 0.43, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-2-(3-oxopiperazin-2-yl)acetamide is sourced from PubChem (CID 54794658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).