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

C17H21N3OS — CID 42528190

IUPAC1-ethyl-N-[3-(1,3-thiazol-4-yl)phenyl]piperidine-4-carboxamide
SMILESCCN1CCC(C(=O)Nc2cccc(-c3cscn3)c2)CC1
InChIInChI=1S/C17H21N3OS/c1-2-20-8-6-13(7-9-20)17(21)19-15-5-3-4-14(10-15)16-11-22-12-18-16/h3-5,10-13H,2,6-9H2,1H3,(H,19,21)
InChIKeyOLXUDNMTQMCGBO-UHFFFAOYSA-N
MW315.44 g/mol
LogP3.48
Rot. Bonds4

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

1-ethyl-N-[3-(1,3-thiazol-4-yl)phenyl]piperidine-4-carboxamide (PubChem CID 42528190) has the molecular formula C17H21N3OS and a molecular weight of 315.44 g/mol. Its IUPAC name is 1-ethyl-N-[3-(1,3-thiazol-4-yl)phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-[3-(1,3-thiazol-4-yl)phenyl]piperidine-4-carboxamide
PubChem CID42528190
Molecular FormulaC17H21N3OS
Molecular Weight315.44 g/mol
Exact Mass315.14
IUPAC Name1-ethyl-N-[3-(1,3-thiazol-4-yl)phenyl]piperidine-4-carboxamide
SMILESCCN1CCC(C(=O)Nc2cccc(-c3cscn3)c2)CC1
InChIInChI=1S/C17H21N3OS/c1-2-20-8-6-13(7-9-20)17(21)19-15-5-3-4-14(10-15)16-11-22-12-18-16/h3-5,10-13H,2,6-9H2,1H3,(H,19,21)
InChIKeyOLXUDNMTQMCGBO-UHFFFAOYSA-N
XLogP3.48
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(pyridin-4-ylmethyl)-N-[3-(1,3-thiazol-4-yl)phenyl]piperidine-4-carboxamide
CID 42517113
1-[(4-chloro-3-fluorophenyl)methyl]-N-[3-(1,3-thiazol-4-yl)phenyl]piperidine-4-carboxamide
CID 26393007
1-methyl-1-[(3R)-1-methylpyrrolidin-3-yl]-3-[3-(1,3-thiazol-4-yl)phenyl]urea
CID 125174576
1-(4-hydroxycyclohexyl)-3-[3-(1,3-thiazol-4-yl)phenyl]urea
CID 72847558
N-[3-(1,3-thiazol-4-yl)phenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide
CID 74545212
1-[(3-acetylphenyl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide
CID 70757490
1-[(5-ethylfuran-2-yl)methyl]-N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]piperidine-4-carboxamide
CID 24817026
(3S)-1-[(3-hydroxyphenyl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide
CID 26315659
1-(4-chlorophenyl)-3-[3-(1,3-thiazol-4-yl)phenyl]urea
CID 135376255
N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1-(6-phenylpyrimidin-4-yl)piperidine-4-carboxamide
CID 90519073
(3S)-1-[(3-methoxyphenyl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide
CID 42213030
1-[(3-methoxyphenyl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide
CID 24792091

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[3-(1,3-thiazol-4-yl)phenyl]piperidine-4-carboxamide?
The IUPAC name of 1-ethyl-N-[3-(1,3-thiazol-4-yl)phenyl]piperidine-4-carboxamide (CID 42528190) is 1-ethyl-N-[3-(1,3-thiazol-4-yl)phenyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-ethyl-N-[3-(1,3-thiazol-4-yl)phenyl]piperidine-4-carboxamide?
The canonical SMILES for 1-ethyl-N-[3-(1,3-thiazol-4-yl)phenyl]piperidine-4-carboxamide is CCN1CCC(C(=O)Nc2cccc(-c3cscn3)c2)CC1.
What is the InChIKey of 1-ethyl-N-[3-(1,3-thiazol-4-yl)phenyl]piperidine-4-carboxamide?
The InChIKey is OLXUDNMTQMCGBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3OS/c1-2-20-8-6-13(7-9-20)17(21)19-15-5-3-4-14(10-15)16-11-22-12-18-16/h3-5,10-13H,2,6-9H2,1H3,(H,19,21).
What are the key properties of 1-ethyl-N-[3-(1,3-thiazol-4-yl)phenyl]piperidine-4-carboxamide?
1-ethyl-N-[3-(1,3-thiazol-4-yl)phenyl]piperidine-4-carboxamide has a molecular weight of 315.44 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[3-(1,3-thiazol-4-yl)phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 42528190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).