N-[1-[2-[(2R)-2-(3-fluorophenyl)-3-oxopiperazin-1-yl]-2-oxoethyl]pyrazol-4-yl]-3-phenoxypropanamide

C24H24FN5O4 — CID 42501099

IUPACN-[1-[2-[(2R)-2-(3-fluorophenyl)-3-oxopiperazin-1-yl]-2-oxoethyl]pyrazol-4-yl]-3-phenoxypropanamide
SMILESO=C(CCOc1ccccc1)Nc1cnn(CC(=O)N2CCNC(=O)[C@H]2c2cccc(F)c2)c1
InChIInChI=1S/C24H24FN5O4/c25-18-6-4-5-17(13-18)23-24(33)26-10-11-30(23)22(32)16-29-15-19(14-27-29)28-21(31)9-12-34-20-7-2-1-3-8-20/h1-8,13-15,23H,9-12,16H2,(H,26,33)(H,28,31)/t23-/m1/s1
InChIKeyKYULFTRWIVMBCE-HSZRJFAPSA-N
MW465.49 g/mol
LogP2.13
Rot. Bonds8

About N-[1-[2-[(2R)-2-(3-fluorophenyl)-3-oxopiperazin-1-yl]-2-oxoethyl]pyrazol-4-yl]-3-phenoxypropanamide

N-[1-[2-[(2R)-2-(3-fluorophenyl)-3-oxopiperazin-1-yl]-2-oxoethyl]pyrazol-4-yl]-3-phenoxypropanamide (PubChem CID 42501099) has the molecular formula C24H24FN5O4 and a molecular weight of 465.49 g/mol. Its IUPAC name is N-[1-[2-[(2R)-2-(3-fluorophenyl)-3-oxopiperazin-1-yl]-2-oxoethyl]pyrazol-4-yl]-3-phenoxypropanamide.

Molecular Properties

Compound NameN-[1-[2-[(2R)-2-(3-fluorophenyl)-3-oxopiperazin-1-yl]-2-oxoethyl]pyrazol-4-yl]-3-phenoxypropanamide
PubChem CID42501099
Molecular FormulaC24H24FN5O4
Molecular Weight465.49 g/mol
Exact Mass465.18
IUPAC NameN-[1-[2-[(2R)-2-(3-fluorophenyl)-3-oxopiperazin-1-yl]-2-oxoethyl]pyrazol-4-yl]-3-phenoxypropanamide
SMILESO=C(CCOc1ccccc1)Nc1cnn(CC(=O)N2CCNC(=O)[C@H]2c2cccc(F)c2)c1
InChIInChI=1S/C24H24FN5O4/c25-18-6-4-5-17(13-18)23-24(33)26-10-11-30(23)22(32)16-29-15-19(14-27-29)28-21(31)9-12-34-20-7-2-1-3-8-20/h1-8,13-15,23H,9-12,16H2,(H,26,33)(H,28,31)/t23-/m1/s1
InChIKeyKYULFTRWIVMBCE-HSZRJFAPSA-N
XLogP2.13
TPSA105.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.49
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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N-[1-[2-[4-(5-fluoro-2-pyridinyl)-1,4-diazepan-1-yl]-2-oxoethyl]pyrazol-4-yl]-3-phenoxypropanamide
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(3R)-3-(3-fluorophenyl)-4-[3-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)propanoyl]piperazin-2-one
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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-[(2R)-2-(3-fluorophenyl)-3-oxopiperazin-1-yl]-2-oxoethyl]pyrazol-4-yl]-3-phenoxypropanamide?
The IUPAC name of N-[1-[2-[(2R)-2-(3-fluorophenyl)-3-oxopiperazin-1-yl]-2-oxoethyl]pyrazol-4-yl]-3-phenoxypropanamide (CID 42501099) is N-[1-[2-[(2R)-2-(3-fluorophenyl)-3-oxopiperazin-1-yl]-2-oxoethyl]pyrazol-4-yl]-3-phenoxypropanamide.
What is the SMILES notation for N-[1-[2-[(2R)-2-(3-fluorophenyl)-3-oxopiperazin-1-yl]-2-oxoethyl]pyrazol-4-yl]-3-phenoxypropanamide?
The canonical SMILES for N-[1-[2-[(2R)-2-(3-fluorophenyl)-3-oxopiperazin-1-yl]-2-oxoethyl]pyrazol-4-yl]-3-phenoxypropanamide is O=C(CCOc1ccccc1)Nc1cnn(CC(=O)N2CCNC(=O)[C@H]2c2cccc(F)c2)c1.
What is the InChIKey of N-[1-[2-[(2R)-2-(3-fluorophenyl)-3-oxopiperazin-1-yl]-2-oxoethyl]pyrazol-4-yl]-3-phenoxypropanamide?
The InChIKey is KYULFTRWIVMBCE-HSZRJFAPSA-N. The full InChI is InChI=1S/C24H24FN5O4/c25-18-6-4-5-17(13-18)23-24(33)26-10-11-30(23)22(32)16-29-15-19(14-27-29)28-21(31)9-12-34-20-7-2-1-3-8-20/h1-8,13-15,23H,9-12,16H2,(H,26,33)(H,28,31)/t23-/m1/s1.
What are the key properties of N-[1-[2-[(2R)-2-(3-fluorophenyl)-3-oxopiperazin-1-yl]-2-oxoethyl]pyrazol-4-yl]-3-phenoxypropanamide?
N-[1-[2-[(2R)-2-(3-fluorophenyl)-3-oxopiperazin-1-yl]-2-oxoethyl]pyrazol-4-yl]-3-phenoxypropanamide has a molecular weight of 465.49 g/mol, XLogP of 2.13, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-[(2R)-2-(3-fluorophenyl)-3-oxopiperazin-1-yl]-2-oxoethyl]pyrazol-4-yl]-3-phenoxypropanamide is sourced from PubChem (CID 42501099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).