4-methoxy-N-[1-(4-phenyl-1,3-thiazol-2-yl)ethyl]piperidine-4-carboxamide

C18H23N3O2S — CID 119778960

IUPAC4-methoxy-N-[1-(4-phenyl-1,3-thiazol-2-yl)ethyl]piperidine-4-carboxamide
SMILESCOC1(C(=O)NC(C)c2nc(-c3ccccc3)cs2)CCNCC1
InChIInChI=1S/C18H23N3O2S/c1-13(20-17(22)18(23-2)8-10-19-11-9-18)16-21-15(12-24-16)14-6-4-3-5-7-14/h3-7,12-13,19H,8-11H2,1-2H3,(H,20,22)
InChIKeyKIJPDJVVIFUHBL-UHFFFAOYSA-N
MW345.47 g/mol
LogP2.76
Rot. Bonds5

About 4-methoxy-N-[1-(4-phenyl-1,3-thiazol-2-yl)ethyl]piperidine-4-carboxamide

4-methoxy-N-[1-(4-phenyl-1,3-thiazol-2-yl)ethyl]piperidine-4-carboxamide (PubChem CID 119778960) has the molecular formula C18H23N3O2S and a molecular weight of 345.47 g/mol. Its IUPAC name is 4-methoxy-N-[1-(4-phenyl-1,3-thiazol-2-yl)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name4-methoxy-N-[1-(4-phenyl-1,3-thiazol-2-yl)ethyl]piperidine-4-carboxamide
PubChem CID119778960
Molecular FormulaC18H23N3O2S
Molecular Weight345.47 g/mol
Exact Mass345.15
IUPAC Name4-methoxy-N-[1-(4-phenyl-1,3-thiazol-2-yl)ethyl]piperidine-4-carboxamide
SMILESCOC1(C(=O)NC(C)c2nc(-c3ccccc3)cs2)CCNCC1
InChIInChI=1S/C18H23N3O2S/c1-13(20-17(22)18(23-2)8-10-19-11-9-18)16-21-15(12-24-16)14-6-4-3-5-7-14/h3-7,12-13,19H,8-11H2,1-2H3,(H,20,22)
InChIKeyKIJPDJVVIFUHBL-UHFFFAOYSA-N
XLogP2.76
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-N-(4-phenyl-1,3-thiazol-2-yl)piperidine-4-carboxamide;hydrochloride
CID 119670233
N-[1-(4-phenyl-1,3-thiazol-2-yl)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120931761
3-amino-2-methyl-N-[1-(4-phenyl-1,3-thiazol-2-yl)ethyl]butanamide
CID 120500624
4-methoxy-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]piperidine-4-carboxamide
CID 119694020
4-methoxy-N-[1-(2-methoxyphenyl)ethyl]piperidine-4-carboxamide;hydrochloride
CID 119683042
2-(cyclopropylmethylamino)-N-[1-(4-phenyl-1,3-thiazol-2-yl)ethyl]acetamide
CID 119778952
N-[1-(4-phenyl-1,3-thiazol-2-yl)ethyl]piperidine-2-carboxamide
CID 119320857
N-[4-(4-butylphenyl)-1,3-thiazol-2-yl]-4-methoxypiperidine-4-carboxamide
CID 119686519
2-[1-(4-phenyl-1,3-thiazol-2-yl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 119184553
4-[1-(4-phenyl-1,3-thiazol-2-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120673541
1-[(1R)-1-(4-phenyl-1,3-thiazol-2-yl)ethyl]-3-(pyridin-4-ylmethyl)urea
CID 95760159
1,1-diethyl-3-[(1S)-1-(4-phenyl-1,3-thiazol-2-yl)ethyl]urea
CID 95760758

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[1-(4-phenyl-1,3-thiazol-2-yl)ethyl]piperidine-4-carboxamide?
The IUPAC name of 4-methoxy-N-[1-(4-phenyl-1,3-thiazol-2-yl)ethyl]piperidine-4-carboxamide (CID 119778960) is 4-methoxy-N-[1-(4-phenyl-1,3-thiazol-2-yl)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for 4-methoxy-N-[1-(4-phenyl-1,3-thiazol-2-yl)ethyl]piperidine-4-carboxamide?
The canonical SMILES for 4-methoxy-N-[1-(4-phenyl-1,3-thiazol-2-yl)ethyl]piperidine-4-carboxamide is COC1(C(=O)NC(C)c2nc(-c3ccccc3)cs2)CCNCC1.
What is the InChIKey of 4-methoxy-N-[1-(4-phenyl-1,3-thiazol-2-yl)ethyl]piperidine-4-carboxamide?
The InChIKey is KIJPDJVVIFUHBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2S/c1-13(20-17(22)18(23-2)8-10-19-11-9-18)16-21-15(12-24-16)14-6-4-3-5-7-14/h3-7,12-13,19H,8-11H2,1-2H3,(H,20,22).
What are the key properties of 4-methoxy-N-[1-(4-phenyl-1,3-thiazol-2-yl)ethyl]piperidine-4-carboxamide?
4-methoxy-N-[1-(4-phenyl-1,3-thiazol-2-yl)ethyl]piperidine-4-carboxamide has a molecular weight of 345.47 g/mol, XLogP of 2.76, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[1-(4-phenyl-1,3-thiazol-2-yl)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 119778960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).