(2S)-2-[4-(4-acetylphenyl)piperazine-1-carbonyl]pyrrolidine-1-carboxamide

C18H24N4O3 — CID 74233374

IUPAC(2S)-2-[4-(4-acetylphenyl)piperazine-1-carbonyl]pyrrolidine-1-carboxamide
SMILESCC(=O)c1ccc(N2CCN(C(=O)[C@@H]3CCCN3C(N)=O)CC2)cc1
InChIInChI=1S/C18H24N4O3/c1-13(23)14-4-6-15(7-5-14)20-9-11-21(12-10-20)17(24)16-3-2-8-22(16)18(19)25/h4-7,16H,2-3,8-12H2,1H3,(H2,19,25)/t16-/m0/s1
InChIKeyAKUGFDWFGAONNS-INIZCTEOSA-N
MW344.41 g/mol
LogP1.08
Rot. Bonds3

About (2S)-2-[4-(4-acetylphenyl)piperazine-1-carbonyl]pyrrolidine-1-carboxamide

(2S)-2-[4-(4-acetylphenyl)piperazine-1-carbonyl]pyrrolidine-1-carboxamide (PubChem CID 74233374) has the molecular formula C18H24N4O3 and a molecular weight of 344.41 g/mol. Its IUPAC name is (2S)-2-[4-(4-acetylphenyl)piperazine-1-carbonyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-2-[4-(4-acetylphenyl)piperazine-1-carbonyl]pyrrolidine-1-carboxamide
PubChem CID74233374
Molecular FormulaC18H24N4O3
Molecular Weight344.41 g/mol
Exact Mass344.18
IUPAC Name(2S)-2-[4-(4-acetylphenyl)piperazine-1-carbonyl]pyrrolidine-1-carboxamide
SMILESCC(=O)c1ccc(N2CCN(C(=O)[C@@H]3CCCN3C(N)=O)CC2)cc1
InChIInChI=1S/C18H24N4O3/c1-13(23)14-4-6-15(7-5-14)20-9-11-21(12-10-20)17(24)16-3-2-8-22(16)18(19)25/h4-7,16H,2-3,8-12H2,1H3,(H2,19,25)/t16-/m0/s1
InChIKeyAKUGFDWFGAONNS-INIZCTEOSA-N
XLogP1.08
TPSA86.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,2,2-trifluoro-1-[2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]pyrrolidin-1-yl]ethanone
CID 110343907
(1R,2S,3S,4R)-3-[4-(4-acetylphenyl)piperazine-1-carbonyl]bicyclo[2.2.2]oct-5-ene-2-carboxylic acid
CID 98299268
cyclohexyl-[2-(4-phenylpiperazine-1-carbonyl)pyrrolidin-1-yl]methanone
CID 55731339
1-[4-(4-cyclopentylpiperazin-1-yl)phenyl]ethanone
CID 10149338
4-(4-acetylphenyl)-N-(2-methylcyclohexyl)piperazine-1-carboxamide
CID 42928323
4-[4-[(2S)-1-methyl-5-oxopyrrolidine-2-carbonyl]piperazin-1-yl]benzamide
CID 136580851
1-[(2S)-2-[4-(3-methoxyphenyl)piperazine-1-carbonyl]pyrrolidin-1-yl]ethanone
CID 94670838
1-[4-[4-[1-(3,5-dichlorobenzoyl)pyrrolidine-2-carbonyl]piperazin-1-yl]-3-fluorophenyl]ethanone
CID 55607675
4-[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]benzamide;hydrochloride
CID 68549109
(4-phenylpiperazin-1-yl)-[1-(thiophene-2-carbonyl)pyrrolidin-2-yl]methanone
CID 51148177
(2R)-1-[4-(4-propan-2-ylpiperazin-1-yl)benzoyl]pyrrolidine-2-carboxylic acid
CID 119371187
[4-(4-chlorophenyl)piperazin-1-yl]-(1-methylsulfonylpyrrolidin-2-yl)methanone
CID 110281486

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[4-(4-acetylphenyl)piperazine-1-carbonyl]pyrrolidine-1-carboxamide?
The IUPAC name of (2S)-2-[4-(4-acetylphenyl)piperazine-1-carbonyl]pyrrolidine-1-carboxamide (CID 74233374) is (2S)-2-[4-(4-acetylphenyl)piperazine-1-carbonyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for (2S)-2-[4-(4-acetylphenyl)piperazine-1-carbonyl]pyrrolidine-1-carboxamide?
The canonical SMILES for (2S)-2-[4-(4-acetylphenyl)piperazine-1-carbonyl]pyrrolidine-1-carboxamide is CC(=O)c1ccc(N2CCN(C(=O)[C@@H]3CCCN3C(N)=O)CC2)cc1.
What is the InChIKey of (2S)-2-[4-(4-acetylphenyl)piperazine-1-carbonyl]pyrrolidine-1-carboxamide?
The InChIKey is AKUGFDWFGAONNS-INIZCTEOSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-13(23)14-4-6-15(7-5-14)20-9-11-21(12-10-20)17(24)16-3-2-8-22(16)18(19)25/h4-7,16H,2-3,8-12H2,1H3,(H2,19,25)/t16-/m0/s1.
What are the key properties of (2S)-2-[4-(4-acetylphenyl)piperazine-1-carbonyl]pyrrolidine-1-carboxamide?
(2S)-2-[4-(4-acetylphenyl)piperazine-1-carbonyl]pyrrolidine-1-carboxamide has a molecular weight of 344.41 g/mol, XLogP of 1.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[4-(4-acetylphenyl)piperazine-1-carbonyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 74233374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).