3-[(3R,4S)-1-[3-(4-acetyl-3,5-dimethylpyrazol-1-yl)propanoyl]-4-(dimethylamino)piperidin-3-yl]propanoic acid

C20H32N4O4 — CID 72927712

IUPAC3-[(3R,4S)-1-[3-(4-acetyl-3,5-dimethylpyrazol-1-yl)propanoyl]-4-(dimethylamino)piperidin-3-yl]propanoic acid
SMILESCC(=O)c1c(C)nn(CCC(=O)N2CC[C@H](N(C)C)[C@H](CCC(=O)O)C2)c1C
InChIInChI=1S/C20H32N4O4/c1-13-20(15(3)25)14(2)24(21-13)11-9-18(26)23-10-8-17(22(4)5)16(12-23)6-7-19(27)28/h16-17H,6-12H2,1-5H3,(H,27,28)/t16-,17+/m1/s1
InChIKeyHFYUKAPUFCIFCB-SJORKVTESA-N
MW392.50 g/mol
LogP1.74
Rot. Bonds8

About 3-[(3R,4S)-1-[3-(4-acetyl-3,5-dimethylpyrazol-1-yl)propanoyl]-4-(dimethylamino)piperidin-3-yl]propanoic acid

3-[(3R,4S)-1-[3-(4-acetyl-3,5-dimethylpyrazol-1-yl)propanoyl]-4-(dimethylamino)piperidin-3-yl]propanoic acid (PubChem CID 72927712) has the molecular formula C20H32N4O4 and a molecular weight of 392.50 g/mol. Its IUPAC name is 3-[(3R,4S)-1-[3-(4-acetyl-3,5-dimethylpyrazol-1-yl)propanoyl]-4-(dimethylamino)piperidin-3-yl]propanoic acid.

Molecular Properties

Compound Name3-[(3R,4S)-1-[3-(4-acetyl-3,5-dimethylpyrazol-1-yl)propanoyl]-4-(dimethylamino)piperidin-3-yl]propanoic acid
PubChem CID72927712
Molecular FormulaC20H32N4O4
Molecular Weight392.50 g/mol
Exact Mass392.24
IUPAC Name3-[(3R,4S)-1-[3-(4-acetyl-3,5-dimethylpyrazol-1-yl)propanoyl]-4-(dimethylamino)piperidin-3-yl]propanoic acid
SMILESCC(=O)c1c(C)nn(CCC(=O)N2CC[C@H](N(C)C)[C@H](CCC(=O)O)C2)c1C
InChIInChI=1S/C20H32N4O4/c1-13-20(15(3)25)14(2)24(21-13)11-9-18(26)23-10-8-17(22(4)5)16(12-23)6-7-19(27)28/h16-17H,6-12H2,1-5H3,(H,27,28)/t16-,17+/m1/s1
InChIKeyHFYUKAPUFCIFCB-SJORKVTESA-N
XLogP1.74
TPSA95.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[(3R,4S)-1-[3-(4-acetyl-3,5-dimethylpyrazol-1-yl)propanoyl]-4-(dimethylamino)piperidin-3-yl]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(4-acetyl-3,5-dimethylpyrazol-1-yl)-1-[3-[(3,5-difluorophenyl)methyl]pyrrolidin-1-yl]propan-1-one
CID 166618342
4-[1-[3-(4-acetyl-3,5-dimethylpyrazol-1-yl)propanoyl]piperidin-3-yl]-1H-pyrimidin-6-one
CID 136967921
3-(4-acetyl-3,5-dimethylpyrazol-1-yl)-1-[(3S,4S)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]propan-1-one
CID 118794987
3-(4-acetyl-3,5-dimethylpyrazol-1-yl)-1-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]propan-1-one
CID 95555940
(1S,5R)-7-[3-(4-acetyl-3,5-dimethylpyrazol-1-yl)propanoyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one
CID 155496219
3-(4-acetyl-3,5-dimethylpyrazol-1-yl)-1-(2-oxa-9-azaspiro[4.5]decan-9-yl)propan-1-one
CID 118767642
3-[3-(4-acetyl-3,5-dimethylpyrazol-1-yl)propanoyl]-9,9-dimethyl-3,7,11-triazaspiro[5.6]dodecan-12-one
CID 138379083
3-[(3S,4R)-1-(3-chloro-4-methoxybenzoyl)-4-(dimethylamino)piperidin-3-yl]propanoic acid
CID 133111817
3-(4-acetyl-3,5-dimethylpyrazol-1-yl)-1-[2-[4-[(dimethylamino)methyl]phenyl]pyrrolidin-1-yl]propan-1-one;formic acid
CID 154914648
3-[(3R,4S)-4-(dimethylamino)-1-[(2-phenylphenyl)carbamoyl]piperidin-3-yl]propanoic acid
CID 72857032
3-[(3R,4S)-4-(dimethylamino)-1-(2-methyl-5-sulfamoylbenzoyl)piperidin-3-yl]propanoic acid
CID 72838999
2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-1-[(2R,6S)-4-azatricyclo[5.2.2.02,6]undecan-4-yl]ethanone
CID 56878495

Frequently Asked Questions

What is the IUPAC name of 3-[(3R,4S)-1-[3-(4-acetyl-3,5-dimethylpyrazol-1-yl)propanoyl]-4-(dimethylamino)piperidin-3-yl]propanoic acid?
The IUPAC name of 3-[(3R,4S)-1-[3-(4-acetyl-3,5-dimethylpyrazol-1-yl)propanoyl]-4-(dimethylamino)piperidin-3-yl]propanoic acid (CID 72927712) is 3-[(3R,4S)-1-[3-(4-acetyl-3,5-dimethylpyrazol-1-yl)propanoyl]-4-(dimethylamino)piperidin-3-yl]propanoic acid.
What is the SMILES notation for 3-[(3R,4S)-1-[3-(4-acetyl-3,5-dimethylpyrazol-1-yl)propanoyl]-4-(dimethylamino)piperidin-3-yl]propanoic acid?
The canonical SMILES for 3-[(3R,4S)-1-[3-(4-acetyl-3,5-dimethylpyrazol-1-yl)propanoyl]-4-(dimethylamino)piperidin-3-yl]propanoic acid is CC(=O)c1c(C)nn(CCC(=O)N2CC[C@H](N(C)C)[C@H](CCC(=O)O)C2)c1C.
What is the InChIKey of 3-[(3R,4S)-1-[3-(4-acetyl-3,5-dimethylpyrazol-1-yl)propanoyl]-4-(dimethylamino)piperidin-3-yl]propanoic acid?
The InChIKey is HFYUKAPUFCIFCB-SJORKVTESA-N. The full InChI is InChI=1S/C20H32N4O4/c1-13-20(15(3)25)14(2)24(21-13)11-9-18(26)23-10-8-17(22(4)5)16(12-23)6-7-19(27)28/h16-17H,6-12H2,1-5H3,(H,27,28)/t16-,17+/m1/s1.
What are the key properties of 3-[(3R,4S)-1-[3-(4-acetyl-3,5-dimethylpyrazol-1-yl)propanoyl]-4-(dimethylamino)piperidin-3-yl]propanoic acid?
3-[(3R,4S)-1-[3-(4-acetyl-3,5-dimethylpyrazol-1-yl)propanoyl]-4-(dimethylamino)piperidin-3-yl]propanoic acid has a molecular weight of 392.50 g/mol, XLogP of 1.74, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R,4S)-1-[3-(4-acetyl-3,5-dimethylpyrazol-1-yl)propanoyl]-4-(dimethylamino)piperidin-3-yl]propanoic acid is sourced from PubChem (CID 72927712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).