N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-1-(3-methoxybenzoyl)piperidine-4-carboxamide

C20H26N4O3S — CID 131894462

IUPACN-[3-(2-amino-1,3-thiazol-4-yl)propyl]-1-(3-methoxybenzoyl)piperidine-4-carboxamide
SMILESCOc1cccc(C(=O)N2CCC(C(=O)NCCCc3csc(N)n3)CC2)c1
InChIInChI=1S/C20H26N4O3S/c1-27-17-6-2-4-15(12-17)19(26)24-10-7-14(8-11-24)18(25)22-9-3-5-16-13-28-20(21)23-16/h2,4,6,12-14H,3,5,7-11H2,1H3,(H2,21,23)(H,22,25)
InChIKeyFKTKQWMZDOOSIJ-UHFFFAOYSA-N
MW402.52 g/mol
LogP2.34
Rot. Bonds7

About N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-1-(3-methoxybenzoyl)piperidine-4-carboxamide

N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-1-(3-methoxybenzoyl)piperidine-4-carboxamide (PubChem CID 131894462) has the molecular formula C20H26N4O3S and a molecular weight of 402.52 g/mol. Its IUPAC name is N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-1-(3-methoxybenzoyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(2-amino-1,3-thiazol-4-yl)propyl]-1-(3-methoxybenzoyl)piperidine-4-carboxamide
PubChem CID131894462
Molecular FormulaC20H26N4O3S
Molecular Weight402.52 g/mol
Exact Mass402.17
IUPAC NameN-[3-(2-amino-1,3-thiazol-4-yl)propyl]-1-(3-methoxybenzoyl)piperidine-4-carboxamide
SMILESCOc1cccc(C(=O)N2CCC(C(=O)NCCCc3csc(N)n3)CC2)c1
InChIInChI=1S/C20H26N4O3S/c1-27-17-6-2-4-15(12-17)19(26)24-10-7-14(8-11-24)18(25)22-9-3-5-16-13-28-20(21)23-16/h2,4,6,12-14H,3,5,7-11H2,1H3,(H2,21,23)(H,22,25)
InChIKeyFKTKQWMZDOOSIJ-UHFFFAOYSA-N
XLogP2.34
TPSA97.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.52
LogP ≤ 52.34
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

N-butyl-1-(3-methoxybenzoyl)piperidine-4-carboxamide
CID 113002679
1-(3-methoxybenzoyl)-N-[3-(triazol-1-yl)propyl]piperidine-4-carboxamide
CID 135109599
N-[2-(3-methoxyphenyl)ethyl]-1-(pyridine-3-carbonyl)piperidine-4-carboxamide
CID 113004742
(3R)-1-(3-methoxybenzoyl)-N-(3-pyrazol-1-ylpropyl)pyrrolidine-3-carboxamide
CID 92635325
1-(3-methoxybenzoyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
CID 90602064
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(3-methoxybenzoyl)piperidine-4-carboxamide
CID 86285783
N-[(4-chlorophenyl)methyl]-1-(3-methoxybenzoyl)piperidine-4-carboxamide
CID 113004279
N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-1-(3-chloro-4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 131920666
1-(3-methoxybenzoyl)-N-[[(2R)-oxolan-2-yl]methyl]piperidine-4-carboxamide
CID 124749040
1-(3-methoxybenzoyl)-N-[[(2S)-oxolan-2-yl]methyl]piperidine-4-carboxamide
CID 124749039
1-(3,5-dimethoxybenzoyl)-N-(3-methoxypropyl)piperidine-4-carboxamide
CID 46471462
1-(4-methoxybenzoyl)-N-pentylpiperidine-4-carboxamide
CID 113005591

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-1-(3-methoxybenzoyl)piperidine-4-carboxamide?
The IUPAC name of N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-1-(3-methoxybenzoyl)piperidine-4-carboxamide (CID 131894462) is N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-1-(3-methoxybenzoyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-1-(3-methoxybenzoyl)piperidine-4-carboxamide?
The canonical SMILES for N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-1-(3-methoxybenzoyl)piperidine-4-carboxamide is COc1cccc(C(=O)N2CCC(C(=O)NCCCc3csc(N)n3)CC2)c1.
What is the InChIKey of N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-1-(3-methoxybenzoyl)piperidine-4-carboxamide?
The InChIKey is FKTKQWMZDOOSIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3S/c1-27-17-6-2-4-15(12-17)19(26)24-10-7-14(8-11-24)18(25)22-9-3-5-16-13-28-20(21)23-16/h2,4,6,12-14H,3,5,7-11H2,1H3,(H2,21,23)(H,22,25).
What are the key properties of N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-1-(3-methoxybenzoyl)piperidine-4-carboxamide?
N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-1-(3-methoxybenzoyl)piperidine-4-carboxamide has a molecular weight of 402.52 g/mol, XLogP of 2.34, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-1-(3-methoxybenzoyl)piperidine-4-carboxamide is sourced from PubChem (CID 131894462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).