1-[2-[(4-butoxybenzoyl)amino]acetyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide

C23H30N4O4S — CID 55952403

IUPAC1-[2-[(4-butoxybenzoyl)amino]acetyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
SMILESCCCCOc1ccc(C(=O)NCC(=O)N2CCC(C(=O)Nc3nc(C)cs3)CC2)cc1
InChIInChI=1S/C23H30N4O4S/c1-3-4-13-31-19-7-5-17(6-8-19)21(29)24-14-20(28)27-11-9-18(10-12-27)22(30)26-23-25-16(2)15-32-23/h5-8,15,18H,3-4,9-14H2,1-2H3,(H,24,29)(H,25,26,30)
InChIKeyKWYCMHWIJTYGAN-UHFFFAOYSA-N
MW458.58 g/mol
LogP3.24
Rot. Bonds9

About 1-[2-[(4-butoxybenzoyl)amino]acetyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide

1-[2-[(4-butoxybenzoyl)amino]acetyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide (PubChem CID 55952403) has the molecular formula C23H30N4O4S and a molecular weight of 458.58 g/mol. Its IUPAC name is 1-[2-[(4-butoxybenzoyl)amino]acetyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-[(4-butoxybenzoyl)amino]acetyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
PubChem CID55952403
Molecular FormulaC23H30N4O4S
Molecular Weight458.58 g/mol
Exact Mass458.20
IUPAC Name1-[2-[(4-butoxybenzoyl)amino]acetyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
SMILESCCCCOc1ccc(C(=O)NCC(=O)N2CCC(C(=O)Nc3nc(C)cs3)CC2)cc1
InChIInChI=1S/C23H30N4O4S/c1-3-4-13-31-19-7-5-17(6-8-19)21(29)24-14-20(28)27-11-9-18(10-12-27)22(30)26-23-25-16(2)15-32-23/h5-8,15,18H,3-4,9-14H2,1-2H3,(H,24,29)(H,25,26,30)
InChIKeyKWYCMHWIJTYGAN-UHFFFAOYSA-N
XLogP3.24
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.58
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[2-[(3,5-difluorobenzoyl)amino]acetyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 56581809
1-[2-[(4-ethoxybenzoyl)amino]-3-methylbutanoyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 55950991
4-butoxy-N-[2-oxo-2-(4-oxopiperidin-1-yl)ethyl]benzamide
CID 2544715
N-(4-methyl-1,3-thiazol-2-yl)-1-[4-(phenoxymethyl)benzoyl]piperidine-4-carboxamide
CID 55952791
4-butoxy-N-[2-[4-(4-methoxybenzoyl)piperazin-1-yl]-2-oxoethyl]benzamide
CID 38321399
N-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]-4-butoxybenzamide
CID 46653980
4-butoxy-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]benzamide
CID 7923150
1-(3,5-dimethoxybenzoyl)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 46471788
4-butoxy-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]benzamide
CID 30183318
1-[2-(2-benzylphenoxy)acetyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 55952016
1-[2-[3-(4-methoxyphenyl)prop-2-enoylamino]propanoyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 55951132
1-[4-(difluoromethylsulfonyl)benzoyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 55952007

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4-butoxybenzoyl)amino]acetyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide?
The IUPAC name of 1-[2-[(4-butoxybenzoyl)amino]acetyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide (CID 55952403) is 1-[2-[(4-butoxybenzoyl)amino]acetyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-[(4-butoxybenzoyl)amino]acetyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-[2-[(4-butoxybenzoyl)amino]acetyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide is CCCCOc1ccc(C(=O)NCC(=O)N2CCC(C(=O)Nc3nc(C)cs3)CC2)cc1.
What is the InChIKey of 1-[2-[(4-butoxybenzoyl)amino]acetyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide?
The InChIKey is KWYCMHWIJTYGAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O4S/c1-3-4-13-31-19-7-5-17(6-8-19)21(29)24-14-20(28)27-11-9-18(10-12-27)22(30)26-23-25-16(2)15-32-23/h5-8,15,18H,3-4,9-14H2,1-2H3,(H,24,29)(H,25,26,30).
What are the key properties of 1-[2-[(4-butoxybenzoyl)amino]acetyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide?
1-[2-[(4-butoxybenzoyl)amino]acetyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide has a molecular weight of 458.58 g/mol, XLogP of 3.24, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4-butoxybenzoyl)amino]acetyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 55952403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).