2-[6-oxo-5-[[(1R)-1-(5-phenylthiophen-2-yl)ethyl]amino]-2-piperidin-1-ylpyrimidin-1-yl]acetic acid

C23H26N4O3S — CID 170789204

IUPAC2-[6-oxo-5-[[(1R)-1-(5-phenylthiophen-2-yl)ethyl]amino]-2-piperidin-1-ylpyrimidin-1-yl]acetic acid
SMILESC[C@@H](Nc1cnc(N2CCCCC2)n(CC(=O)O)c1=O)c1ccc(-c2ccccc2)s1
InChIInChI=1S/C23H26N4O3S/c1-16(19-10-11-20(31-19)17-8-4-2-5-9-17)25-18-14-24-23(26-12-6-3-7-13-26)27(22(18)30)15-21(28)29/h2,4-5,8-11,14,16,25H,3,6-7,12-13,15H2,1H3,(H,28,29)/t16-/m1/s1
InChIKeyGVXWBMJAAZIFPJ-MRXNPFEDSA-N
MW438.55 g/mol
LogP4.22
Rot. Bonds7

About 2-[6-oxo-5-[[(1R)-1-(5-phenylthiophen-2-yl)ethyl]amino]-2-piperidin-1-ylpyrimidin-1-yl]acetic acid

2-[6-oxo-5-[[(1R)-1-(5-phenylthiophen-2-yl)ethyl]amino]-2-piperidin-1-ylpyrimidin-1-yl]acetic acid (PubChem CID 170789204) has the molecular formula C23H26N4O3S and a molecular weight of 438.55 g/mol. Its IUPAC name is 2-[6-oxo-5-[[(1R)-1-(5-phenylthiophen-2-yl)ethyl]amino]-2-piperidin-1-ylpyrimidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[6-oxo-5-[[(1R)-1-(5-phenylthiophen-2-yl)ethyl]amino]-2-piperidin-1-ylpyrimidin-1-yl]acetic acid
PubChem CID170789204
Molecular FormulaC23H26N4O3S
Molecular Weight438.55 g/mol
Exact Mass438.17
IUPAC Name2-[6-oxo-5-[[(1R)-1-(5-phenylthiophen-2-yl)ethyl]amino]-2-piperidin-1-ylpyrimidin-1-yl]acetic acid
SMILESC[C@@H](Nc1cnc(N2CCCCC2)n(CC(=O)O)c1=O)c1ccc(-c2ccccc2)s1
InChIInChI=1S/C23H26N4O3S/c1-16(19-10-11-20(31-19)17-8-4-2-5-9-17)25-18-14-24-23(26-12-6-3-7-13-26)27(22(18)30)15-21(28)29/h2,4-5,8-11,14,16,25H,3,6-7,12-13,15H2,1H3,(H,28,29)/t16-/m1/s1
InChIKeyGVXWBMJAAZIFPJ-MRXNPFEDSA-N
XLogP4.22
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.55
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[6-oxo-5-[[(1R)-1-(5-phenylthiophen-2-yl)ethyl]amino]-2-piperidin-1-ylpyrimidin-1-yl]acetic 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

2-[6-oxo-5-[[(1R)-1-(2-phenyl-1,3-oxazol-5-yl)ethyl]amino]-2-piperidin-1-ylpyrimidin-1-yl]acetic acid
CID 170789736
N-[(6-aminothieno[3,2-c]pyridin-2-yl)methyl]-4-oxo-3-[1-(5-phenylthiophen-2-yl)ethylamino]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide
CID 178137825
N-methyl-1-(5-phenylthiophen-2-yl)ethanamine
CID 43288011
2-[5-[[(2S)-2-(methylamino)propanoyl]amino]-6-oxo-2-phenylpyrimidin-1-yl]acetic acid
CID 91284759
1-(5-phenylthiophen-2-yl)-2-piperidin-1-ylethanone
CID 90861887
4-chloro-N-[(1S)-1-(5-phenylthiophen-2-yl)ethyl]pyrimidin-2-amine
CID 141420637
1-(5-phenyl-1,3-thiazol-2-yl)-3-(1-piperidin-1-ylpropan-2-yl)urea
CID 78874563
2-[1-(3-methyl-4-oxo-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl)ethylamino]benzoic acid
CID 169154724
5-(azepan-1-yl)-N-(1-phenylethyl)pyrazine-2-carboxamide
CID 109280802
2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)-N-(1-phenylethyl)acetamide
CID 4117193
butyl 4-[5-[[(1R)-1-dibenzofuran-2-ylethyl]amino]-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-6-oxopyrimidin-2-yl]piperazine-1-carboxylate
CID 175993501
2-[4-(azepane-1-carbonyl)piperidin-1-yl]-N-[(1S)-1-(4-phenylphenyl)ethyl]acetamide
CID 40895557

Frequently Asked Questions

What is the IUPAC name of 2-[6-oxo-5-[[(1R)-1-(5-phenylthiophen-2-yl)ethyl]amino]-2-piperidin-1-ylpyrimidin-1-yl]acetic acid?
The IUPAC name of 2-[6-oxo-5-[[(1R)-1-(5-phenylthiophen-2-yl)ethyl]amino]-2-piperidin-1-ylpyrimidin-1-yl]acetic acid (CID 170789204) is 2-[6-oxo-5-[[(1R)-1-(5-phenylthiophen-2-yl)ethyl]amino]-2-piperidin-1-ylpyrimidin-1-yl]acetic acid.
What is the SMILES notation for 2-[6-oxo-5-[[(1R)-1-(5-phenylthiophen-2-yl)ethyl]amino]-2-piperidin-1-ylpyrimidin-1-yl]acetic acid?
The canonical SMILES for 2-[6-oxo-5-[[(1R)-1-(5-phenylthiophen-2-yl)ethyl]amino]-2-piperidin-1-ylpyrimidin-1-yl]acetic acid is C[C@@H](Nc1cnc(N2CCCCC2)n(CC(=O)O)c1=O)c1ccc(-c2ccccc2)s1.
What is the InChIKey of 2-[6-oxo-5-[[(1R)-1-(5-phenylthiophen-2-yl)ethyl]amino]-2-piperidin-1-ylpyrimidin-1-yl]acetic acid?
The InChIKey is GVXWBMJAAZIFPJ-MRXNPFEDSA-N. The full InChI is InChI=1S/C23H26N4O3S/c1-16(19-10-11-20(31-19)17-8-4-2-5-9-17)25-18-14-24-23(26-12-6-3-7-13-26)27(22(18)30)15-21(28)29/h2,4-5,8-11,14,16,25H,3,6-7,12-13,15H2,1H3,(H,28,29)/t16-/m1/s1.
What are the key properties of 2-[6-oxo-5-[[(1R)-1-(5-phenylthiophen-2-yl)ethyl]amino]-2-piperidin-1-ylpyrimidin-1-yl]acetic acid?
2-[6-oxo-5-[[(1R)-1-(5-phenylthiophen-2-yl)ethyl]amino]-2-piperidin-1-ylpyrimidin-1-yl]acetic acid has a molecular weight of 438.55 g/mol, XLogP of 4.22, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-oxo-5-[[(1R)-1-(5-phenylthiophen-2-yl)ethyl]amino]-2-piperidin-1-ylpyrimidin-1-yl]acetic acid is sourced from PubChem (CID 170789204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).