N-[1-[2-(2-benzamido-1,3-thiazol-4-yl)acetyl]piperidin-4-yl]benzamide

C24H24N4O3S — CID 41483133

IUPACN-[1-[2-(2-benzamido-1,3-thiazol-4-yl)acetyl]piperidin-4-yl]benzamide
SMILESO=C(Nc1nc(CC(=O)N2CCC(NC(=O)c3ccccc3)CC2)cs1)c1ccccc1
InChIInChI=1S/C24H24N4O3S/c29-21(15-20-16-32-24(26-20)27-23(31)18-9-5-2-6-10-18)28-13-11-19(12-14-28)25-22(30)17-7-3-1-4-8-17/h1-10,16,19H,11-15H2,(H,25,30)(H,26,27,31)
InChIKeyLNNKTRXJBHEPHI-UHFFFAOYSA-N
MW448.55 g/mol
LogP3.36
Rot. Bonds6

About N-[1-[2-(2-benzamido-1,3-thiazol-4-yl)acetyl]piperidin-4-yl]benzamide

N-[1-[2-(2-benzamido-1,3-thiazol-4-yl)acetyl]piperidin-4-yl]benzamide (PubChem CID 41483133) has the molecular formula C24H24N4O3S and a molecular weight of 448.55 g/mol. Its IUPAC name is N-[1-[2-(2-benzamido-1,3-thiazol-4-yl)acetyl]piperidin-4-yl]benzamide.

Molecular Properties

Compound NameN-[1-[2-(2-benzamido-1,3-thiazol-4-yl)acetyl]piperidin-4-yl]benzamide
PubChem CID41483133
Molecular FormulaC24H24N4O3S
Molecular Weight448.55 g/mol
Exact Mass448.16
IUPAC NameN-[1-[2-(2-benzamido-1,3-thiazol-4-yl)acetyl]piperidin-4-yl]benzamide
SMILESO=C(Nc1nc(CC(=O)N2CCC(NC(=O)c3ccccc3)CC2)cs1)c1ccccc1
InChIInChI=1S/C24H24N4O3S/c29-21(15-20-16-32-24(26-20)27-23(31)18-9-5-2-6-10-18)28-13-11-19(12-14-28)25-22(30)17-7-3-1-4-8-17/h1-10,16,19H,11-15H2,(H,25,30)(H,26,27,31)
InChIKeyLNNKTRXJBHEPHI-UHFFFAOYSA-N
XLogP3.36
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.55
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(2-benzamido-1,3-thiazol-4-yl)acetyl]-N-cyclopropylpiperidine-3-carboxamide
CID 49352343
N-[4-[2-[[1-(furan-3-carbonyl)piperidin-4-yl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 38199475
N-[4-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 41160057
4-chloro-N-[4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1,3-thiazol-2-yl]benzamide
CID 18567922
N-[4-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 38601875
N-[4-[2-[4-(benzenesulfonamido)piperidin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide
CID 55790845
4-chloro-N-[4-[2-oxo-2-(4-pyridin-2-yloxypiperidin-1-yl)ethyl]-1,3-thiazol-2-yl]benzamide
CID 59698874
N-[4-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide
CID 41228041
N-[4-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 22830480
1-cyclohexyl-3-[4-(2-oxo-2-piperidin-1-ylethyl)-1,3-thiazol-2-yl]urea
CID 41211603
1-[4-[2-(azepan-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]-3-cyclopentylurea
CID 41211659
2-fluoro-N-[4-[2-oxo-2-(4-pyrrolidin-1-ylpiperidin-1-yl)ethyl]-1,3-thiazol-2-yl]benzamide
CID 56550936

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(2-benzamido-1,3-thiazol-4-yl)acetyl]piperidin-4-yl]benzamide?
The IUPAC name of N-[1-[2-(2-benzamido-1,3-thiazol-4-yl)acetyl]piperidin-4-yl]benzamide (CID 41483133) is N-[1-[2-(2-benzamido-1,3-thiazol-4-yl)acetyl]piperidin-4-yl]benzamide.
What is the SMILES notation for N-[1-[2-(2-benzamido-1,3-thiazol-4-yl)acetyl]piperidin-4-yl]benzamide?
The canonical SMILES for N-[1-[2-(2-benzamido-1,3-thiazol-4-yl)acetyl]piperidin-4-yl]benzamide is O=C(Nc1nc(CC(=O)N2CCC(NC(=O)c3ccccc3)CC2)cs1)c1ccccc1.
What is the InChIKey of N-[1-[2-(2-benzamido-1,3-thiazol-4-yl)acetyl]piperidin-4-yl]benzamide?
The InChIKey is LNNKTRXJBHEPHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O3S/c29-21(15-20-16-32-24(26-20)27-23(31)18-9-5-2-6-10-18)28-13-11-19(12-14-28)25-22(30)17-7-3-1-4-8-17/h1-10,16,19H,11-15H2,(H,25,30)(H,26,27,31).
What are the key properties of N-[1-[2-(2-benzamido-1,3-thiazol-4-yl)acetyl]piperidin-4-yl]benzamide?
N-[1-[2-(2-benzamido-1,3-thiazol-4-yl)acetyl]piperidin-4-yl]benzamide has a molecular weight of 448.55 g/mol, XLogP of 3.36, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(2-benzamido-1,3-thiazol-4-yl)acetyl]piperidin-4-yl]benzamide is sourced from PubChem (CID 41483133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).