2-[1-[(4-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-[2-(pyrrolidin-1-ylmethyl)phenyl]acetamide

C24H29FN4O2 — CID 131948945

IUPAC2-[1-[(4-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-[2-(pyrrolidin-1-ylmethyl)phenyl]acetamide
SMILESO=C(CC1C(=O)NCCN1Cc1ccc(F)cc1)Nc1ccccc1CN1CCCC1
InChIInChI=1S/C24H29FN4O2/c25-20-9-7-18(8-10-20)16-29-14-11-26-24(31)22(29)15-23(30)27-21-6-2-1-5-19(21)17-28-12-3-4-13-28/h1-2,5-10,22H,3-4,11-17H2,(H,26,31)(H,27,30)
InChIKeyGBYMFTRCCOSCOB-UHFFFAOYSA-N
MW424.52 g/mol
LogP2.75
Rot. Bonds7

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

2-[1-[(4-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-[2-(pyrrolidin-1-ylmethyl)phenyl]acetamide (PubChem CID 131948945) has the molecular formula C24H29FN4O2 and a molecular weight of 424.52 g/mol. Its IUPAC name is 2-[1-[(4-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-[2-(pyrrolidin-1-ylmethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[1-[(4-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-[2-(pyrrolidin-1-ylmethyl)phenyl]acetamide
PubChem CID131948945
Molecular FormulaC24H29FN4O2
Molecular Weight424.52 g/mol
Exact Mass424.23
IUPAC Name2-[1-[(4-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-[2-(pyrrolidin-1-ylmethyl)phenyl]acetamide
SMILESO=C(CC1C(=O)NCCN1Cc1ccc(F)cc1)Nc1ccccc1CN1CCCC1
InChIInChI=1S/C24H29FN4O2/c25-20-9-7-18(8-10-20)16-29-14-11-26-24(31)22(29)15-23(30)27-21-6-2-1-5-19(21)17-28-12-3-4-13-28/h1-2,5-10,22H,3-4,11-17H2,(H,26,31)(H,27,30)
InChIKeyGBYMFTRCCOSCOB-UHFFFAOYSA-N
XLogP2.75
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.52
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-[(2R)-1-[(4-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetamide
CID 95717377
N-cyclooctyl-2-[1-[(4-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetamide
CID 24819460
2-[1-[(4-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-(3-phenylpropyl)acetamide
CID 45174392
methyl 2-[(2R)-1-[(4-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetate
CID 29231924
2-(1-benzyl-3-oxopiperazin-2-yl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)acetamide
CID 137255613
N-(3-cyclopentylpropyl)-2-[(2S)-1-[(4-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetamide
CID 42095215
N-[(4-chlorophenyl)methyl]-2-[1-[(2-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetamide
CID 45209913
N-(3-cyclopentylpropyl)-2-[1-[(4-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetamide
CID 45168373
2-cyclopentyl-N-[2-(pyrrolidin-1-ylmethyl)phenyl]acetamide
CID 71896430
2-(1-ethyl-3-oxopiperazin-2-yl)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]acetamide
CID 131950761
2-[1-[(4-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-[(1-methylpyrazol-4-yl)methyl]acetamide
CID 45178129
3-[2-(azocan-1-yl)-2-oxoethyl]-4-benzylpiperazin-2-one
CID 46984429

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-[2-(pyrrolidin-1-ylmethyl)phenyl]acetamide?
The IUPAC name of 2-[1-[(4-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-[2-(pyrrolidin-1-ylmethyl)phenyl]acetamide (CID 131948945) is 2-[1-[(4-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-[2-(pyrrolidin-1-ylmethyl)phenyl]acetamide.
What is the SMILES notation for 2-[1-[(4-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-[2-(pyrrolidin-1-ylmethyl)phenyl]acetamide?
The canonical SMILES for 2-[1-[(4-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-[2-(pyrrolidin-1-ylmethyl)phenyl]acetamide is O=C(CC1C(=O)NCCN1Cc1ccc(F)cc1)Nc1ccccc1CN1CCCC1.
What is the InChIKey of 2-[1-[(4-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-[2-(pyrrolidin-1-ylmethyl)phenyl]acetamide?
The InChIKey is GBYMFTRCCOSCOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN4O2/c25-20-9-7-18(8-10-20)16-29-14-11-26-24(31)22(29)15-23(30)27-21-6-2-1-5-19(21)17-28-12-3-4-13-28/h1-2,5-10,22H,3-4,11-17H2,(H,26,31)(H,27,30).
What are the key properties of 2-[1-[(4-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-[2-(pyrrolidin-1-ylmethyl)phenyl]acetamide?
2-[1-[(4-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-[2-(pyrrolidin-1-ylmethyl)phenyl]acetamide has a molecular weight of 424.52 g/mol, XLogP of 2.75, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-[2-(pyrrolidin-1-ylmethyl)phenyl]acetamide is sourced from PubChem (CID 131948945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).