3-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]-N-(2-phenylpropyl)benzamide

C26H30N4O3S — CID 46531740

IUPAC3-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]-N-(2-phenylpropyl)benzamide
SMILESCC(CNC(=O)c1cccc(NC(=O)CC2SC(N3CCCCC3)=NC2=O)c1)c1ccccc1
InChIInChI=1S/C26H30N4O3S/c1-18(19-9-4-2-5-10-19)17-27-24(32)20-11-8-12-21(15-20)28-23(31)16-22-25(33)29-26(34-22)30-13-6-3-7-14-30/h2,4-5,8-12,15,18,22H,3,6-7,13-14,16-17H2,1H3,(H,27,32)(H,28,31)
InChIKeyAUONYVLFDQKLDV-UHFFFAOYSA-N
MW478.62 g/mol
LogP4.03
Rot. Bonds7

About 3-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]-N-(2-phenylpropyl)benzamide

3-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]-N-(2-phenylpropyl)benzamide (PubChem CID 46531740) has the molecular formula C26H30N4O3S and a molecular weight of 478.62 g/mol. Its IUPAC name is 3-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]-N-(2-phenylpropyl)benzamide.

Molecular Properties

Compound Name3-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]-N-(2-phenylpropyl)benzamide
PubChem CID46531740
Molecular FormulaC26H30N4O3S
Molecular Weight478.62 g/mol
Exact Mass478.20
IUPAC Name3-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]-N-(2-phenylpropyl)benzamide
SMILESCC(CNC(=O)c1cccc(NC(=O)CC2SC(N3CCCCC3)=NC2=O)c1)c1ccccc1
InChIInChI=1S/C26H30N4O3S/c1-18(19-9-4-2-5-10-19)17-27-24(32)20-11-8-12-21(15-20)28-23(31)16-22-25(33)29-26(34-22)30-13-6-3-7-14-30/h2,4-5,8-12,15,18,22H,3,6-7,13-14,16-17H2,1H3,(H,27,32)(H,28,31)
InChIKeyAUONYVLFDQKLDV-UHFFFAOYSA-N
XLogP4.03
TPSA90.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.62
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]-N-prop-2-enylbenzamide
CID 46531753
3-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]-N-(2,2,2-trifluoroethyl)benzamide
CID 43021146
N-[3-[[(2-methylbenzoyl)amino]carbamoyl]phenyl]-2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetamide
CID 46541094
N-cyclohexyl-3-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide
CID 46601666
N-cycloheptyl-3-[[2-[(5S)-4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl]acetyl]amino]benzamide
CID 41203800
N-(4-ethylphenyl)-3-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide
CID 46531785
N-[3-(azocane-1-carbonyl)phenyl]-2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetamide
CID 55374570
N-[(4-methoxyphenyl)methyl]-3-[[2-[(5S)-4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl]acetyl]amino]benzamide
CID 40855465
3-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]-N-(2-pyridin-2-ylethyl)benzamide
CID 45354482
N-(4-chlorophenyl)-3-[[2-[(5R)-4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl]acetyl]amino]benzamide
CID 40972701
N-butyl-N-methyl-3-[[2-[(5S)-4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl]acetyl]amino]benzamide
CID 26010248
N-[3-(azetidine-1-carbonyl)phenyl]-2-[(5R)-4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl]acetamide
CID 7874464

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]-N-(2-phenylpropyl)benzamide?
The IUPAC name of 3-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]-N-(2-phenylpropyl)benzamide (CID 46531740) is 3-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]-N-(2-phenylpropyl)benzamide.
What is the SMILES notation for 3-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]-N-(2-phenylpropyl)benzamide?
The canonical SMILES for 3-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]-N-(2-phenylpropyl)benzamide is CC(CNC(=O)c1cccc(NC(=O)CC2SC(N3CCCCC3)=NC2=O)c1)c1ccccc1.
What is the InChIKey of 3-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]-N-(2-phenylpropyl)benzamide?
The InChIKey is AUONYVLFDQKLDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O3S/c1-18(19-9-4-2-5-10-19)17-27-24(32)20-11-8-12-21(15-20)28-23(31)16-22-25(33)29-26(34-22)30-13-6-3-7-14-30/h2,4-5,8-12,15,18,22H,3,6-7,13-14,16-17H2,1H3,(H,27,32)(H,28,31).
What are the key properties of 3-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]-N-(2-phenylpropyl)benzamide?
3-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]-N-(2-phenylpropyl)benzamide has a molecular weight of 478.62 g/mol, XLogP of 4.03, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]-N-(2-phenylpropyl)benzamide is sourced from PubChem (CID 46531740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).