4-methoxy-N-(4-phenyl-1,3-thiazol-2-yl)piperidine-4-carboxamide;hydrochloride

C16H20ClN3O2S — CID 119670233

IUPAC4-methoxy-N-(4-phenyl-1,3-thiazol-2-yl)piperidine-4-carboxamide;hydrochloride
SMILESCOC1(C(=O)Nc2nc(-c3ccccc3)cs2)CCNCC1.Cl
InChIInChI=1S/C16H19N3O2S.ClH/c1-21-16(7-9-17-10-8-16)14(20)19-15-18-13(11-22-15)12-5-3-2-4-6-12;/h2-6,11,17H,7-10H2,1H3,(H,18,19,20);1H
InChIKeyOLRGWUBMFZLXMQ-UHFFFAOYSA-N
MW353.88 g/mol
LogP2.94
Rot. Bonds4

About 4-methoxy-N-(4-phenyl-1,3-thiazol-2-yl)piperidine-4-carboxamide;hydrochloride

4-methoxy-N-(4-phenyl-1,3-thiazol-2-yl)piperidine-4-carboxamide;hydrochloride (PubChem CID 119670233) has the molecular formula C16H20ClN3O2S and a molecular weight of 353.88 g/mol. Its IUPAC name is 4-methoxy-N-(4-phenyl-1,3-thiazol-2-yl)piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-methoxy-N-(4-phenyl-1,3-thiazol-2-yl)piperidine-4-carboxamide;hydrochloride
PubChem CID119670233
Molecular FormulaC16H20ClN3O2S
Molecular Weight353.88 g/mol
Exact Mass353.10
IUPAC Name4-methoxy-N-(4-phenyl-1,3-thiazol-2-yl)piperidine-4-carboxamide;hydrochloride
SMILESCOC1(C(=O)Nc2nc(-c3ccccc3)cs2)CCNCC1.Cl
InChIInChI=1S/C16H19N3O2S.ClH/c1-21-16(7-9-17-10-8-16)14(20)19-15-18-13(11-22-15)12-5-3-2-4-6-12;/h2-6,11,17H,7-10H2,1H3,(H,18,19,20);1H
InChIKeyOLRGWUBMFZLXMQ-UHFFFAOYSA-N
XLogP2.94
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.88
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(4-butylphenyl)-1,3-thiazol-2-yl]-4-methoxypiperidine-4-carboxamide
CID 119686519
4-methoxy-N-[1-(4-phenyl-1,3-thiazol-2-yl)ethyl]piperidine-4-carboxamide
CID 119778960
N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119677685
4-methoxy-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]piperidine-4-carboxamide
CID 119694020
4-methoxy-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide;hydrochloride
CID 119681507
1,3-bis(4-phenyl-1,3-thiazol-2-yl)urea
CID 13089293
N-(6-anilino-3-pyridinyl)-4-methoxypiperidine-4-carboxamide;dihydrochloride
CID 119870640
4-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide;hydrochloride
CID 119679205
(1S,4S)-4,7,7-trimethyl-3-oxo-N-(4-phenyl-1,3-thiazol-2-yl)bicyclo[2.2.1]heptane-1-carboxamide
CID 98139186
4-(aminomethyl)-N-(4-phenyl-1,3-thiazol-2-yl)oxane-4-carboxamide;hydrochloride
CID 120916927
N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120616823
N-[5-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 120589563

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(4-phenyl-1,3-thiazol-2-yl)piperidine-4-carboxamide;hydrochloride?
The IUPAC name of 4-methoxy-N-(4-phenyl-1,3-thiazol-2-yl)piperidine-4-carboxamide;hydrochloride (CID 119670233) is 4-methoxy-N-(4-phenyl-1,3-thiazol-2-yl)piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for 4-methoxy-N-(4-phenyl-1,3-thiazol-2-yl)piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for 4-methoxy-N-(4-phenyl-1,3-thiazol-2-yl)piperidine-4-carboxamide;hydrochloride is COC1(C(=O)Nc2nc(-c3ccccc3)cs2)CCNCC1.Cl.
What is the InChIKey of 4-methoxy-N-(4-phenyl-1,3-thiazol-2-yl)piperidine-4-carboxamide;hydrochloride?
The InChIKey is OLRGWUBMFZLXMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2S.ClH/c1-21-16(7-9-17-10-8-16)14(20)19-15-18-13(11-22-15)12-5-3-2-4-6-12;/h2-6,11,17H,7-10H2,1H3,(H,18,19,20);1H.
What are the key properties of 4-methoxy-N-(4-phenyl-1,3-thiazol-2-yl)piperidine-4-carboxamide;hydrochloride?
4-methoxy-N-(4-phenyl-1,3-thiazol-2-yl)piperidine-4-carboxamide;hydrochloride has a molecular weight of 353.88 g/mol, XLogP of 2.94, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(4-phenyl-1,3-thiazol-2-yl)piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119670233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).