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

C21H30FN3O2 — CID 45168373

IUPACN-(3-cyclopentylpropyl)-2-[1-[(4-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetamide
SMILESO=C(CC1C(=O)NCCN1Cc1ccc(F)cc1)NCCCC1CCCC1
InChIInChI=1S/C21H30FN3O2/c22-18-9-7-17(8-10-18)15-25-13-12-24-21(27)19(25)14-20(26)23-11-3-6-16-4-1-2-5-16/h7-10,16,19H,1-6,11-15H2,(H,23,26)(H,24,27)
InChIKeyMFEDWDCFUVGDIC-UHFFFAOYSA-N
MW375.49 g/mol
LogP2.60
Rot. Bonds8

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

N-(3-cyclopentylpropyl)-2-[1-[(4-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetamide (PubChem CID 45168373) has the molecular formula C21H30FN3O2 and a molecular weight of 375.49 g/mol. Its IUPAC name is N-(3-cyclopentylpropyl)-2-[1-[(4-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetamide.

Molecular Properties

Compound NameN-(3-cyclopentylpropyl)-2-[1-[(4-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetamide
PubChem CID45168373
Molecular FormulaC21H30FN3O2
Molecular Weight375.49 g/mol
Exact Mass375.23
IUPAC NameN-(3-cyclopentylpropyl)-2-[1-[(4-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetamide
SMILESO=C(CC1C(=O)NCCN1Cc1ccc(F)cc1)NCCCC1CCCC1
InChIInChI=1S/C21H30FN3O2/c22-18-9-7-17(8-10-18)15-25-13-12-24-21(27)19(25)14-20(26)23-11-3-6-16-4-1-2-5-16/h7-10,16,19H,1-6,11-15H2,(H,23,26)(H,24,27)
InChIKeyMFEDWDCFUVGDIC-UHFFFAOYSA-N
XLogP2.60
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-cyclopentylpropyl)-2-[(2S)-1-[(4-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetamide
CID 42095215
N-(3-cyclopentylpropyl)-2-[1-[(2,3-difluorophenyl)methyl]-3-oxopiperazin-2-yl]acetamide
CID 24819391
2-[1-[(4-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-(3-phenylpropyl)acetamide
CID 45174392
N-cyclooctyl-2-[1-[(4-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetamide
CID 24819460
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-[(2R)-1-[(4-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetamide
CID 95717377
2-[1-[(4-chloro-3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-(3-ethoxypropyl)acetamide
CID 45203698
2-[1-[(4-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-[(1-methylpyrazol-4-yl)methyl]acetamide
CID 45178129
methyl 2-[(2R)-1-[(4-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetate
CID 29231924
2-[(2R)-1-[(4-chloro-3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-(3-methoxypropyl)acetamide
CID 95721949
N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-2-[(2S)-1-[(4-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetamide
CID 42403577
2-[1-[(3,4-difluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-propylacetamide
CID 56884384
N-[2-(3-fluorophenyl)ethyl]-2-[1-[(4-methylphenyl)methyl]-3-oxopiperazin-2-yl]acetamide
CID 45249769

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclopentylpropyl)-2-[1-[(4-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetamide?
The IUPAC name of N-(3-cyclopentylpropyl)-2-[1-[(4-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetamide (CID 45168373) is N-(3-cyclopentylpropyl)-2-[1-[(4-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetamide.
What is the SMILES notation for N-(3-cyclopentylpropyl)-2-[1-[(4-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetamide?
The canonical SMILES for N-(3-cyclopentylpropyl)-2-[1-[(4-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetamide is O=C(CC1C(=O)NCCN1Cc1ccc(F)cc1)NCCCC1CCCC1.
What is the InChIKey of N-(3-cyclopentylpropyl)-2-[1-[(4-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetamide?
The InChIKey is MFEDWDCFUVGDIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30FN3O2/c22-18-9-7-17(8-10-18)15-25-13-12-24-21(27)19(25)14-20(26)23-11-3-6-16-4-1-2-5-16/h7-10,16,19H,1-6,11-15H2,(H,23,26)(H,24,27).
What are the key properties of N-(3-cyclopentylpropyl)-2-[1-[(4-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetamide?
N-(3-cyclopentylpropyl)-2-[1-[(4-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetamide has a molecular weight of 375.49 g/mol, XLogP of 2.60, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclopentylpropyl)-2-[1-[(4-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetamide is sourced from PubChem (CID 45168373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).