(2S,4S)-N-[(2,4-dimethoxyphenyl)methyl]-2-methyl-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide;hydrochloride

C19H26ClN3O3S — CID 120637099

IUPAC(2S,4S)-N-[(2,4-dimethoxyphenyl)methyl]-2-methyl-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide;hydrochloride
SMILESCOc1ccc(CN(C(=O)[C@H]2CCN[C@@H](C)C2)c2nccs2)c(OC)c1.Cl
InChIInChI=1S/C19H25N3O3S.ClH/c1-13-10-14(6-7-20-13)18(23)22(19-21-8-9-26-19)12-15-4-5-16(24-2)11-17(15)25-3;/h4-5,8-9,11,13-14,20H,6-7,10,12H2,1-3H3;1H/t13-,14-;/m0./s1
InChIKeyDDPOXFKMMNVIQH-IODNYQNNSA-N
MW411.96 g/mol
LogP3.50
Rot. Bonds6

About (2S,4S)-N-[(2,4-dimethoxyphenyl)methyl]-2-methyl-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide;hydrochloride

(2S,4S)-N-[(2,4-dimethoxyphenyl)methyl]-2-methyl-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide;hydrochloride (PubChem CID 120637099) has the molecular formula C19H26ClN3O3S and a molecular weight of 411.96 g/mol. Its IUPAC name is (2S,4S)-N-[(2,4-dimethoxyphenyl)methyl]-2-methyl-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S,4S)-N-[(2,4-dimethoxyphenyl)methyl]-2-methyl-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide;hydrochloride
PubChem CID120637099
Molecular FormulaC19H26ClN3O3S
Molecular Weight411.96 g/mol
Exact Mass411.14
IUPAC Name(2S,4S)-N-[(2,4-dimethoxyphenyl)methyl]-2-methyl-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide;hydrochloride
SMILESCOc1ccc(CN(C(=O)[C@H]2CCN[C@@H](C)C2)c2nccs2)c(OC)c1.Cl
InChIInChI=1S/C19H25N3O3S.ClH/c1-13-10-14(6-7-20-13)18(23)22(19-21-8-9-26-19)12-15-4-5-16(24-2)11-17(15)25-3;/h4-5,8-9,11,13-14,20H,6-7,10,12H2,1-3H3;1H/t13-,14-;/m0./s1
InChIKeyDDPOXFKMMNVIQH-IODNYQNNSA-N
XLogP3.50
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.96
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

cis-(1S,2R)-N-[(2,4-dimethoxyphenyl)methyl]-2-methyl-N-(1,3-thiazol-2-yl)cyclopropane-1-carboxamide
CID 96523719
(2S,5R)-5-(aminomethyl)-N-[(2,4-dimethoxyphenyl)methyl]-N-(1,3-thiazol-2-yl)oxolane-2-carboxamide;hydrochloride
CID 120795485
N-[(2,4-dimethoxyphenyl)methyl]-N-(1,3-thiazol-2-yl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119940107
4-amino-N-[(2,4-dimethoxyphenyl)methyl]-3-methoxy-N-(1,3-thiazol-2-yl)butanamide;hydrochloride
CID 120593724
N-[(2,4-dimethoxyphenyl)methyl]-4-(methylamino)-N-(1,3-thiazol-2-yl)butanamide
CID 119809960
(2S,4S)-N-cyclopropyl-N-[(2-methoxyphenyl)methyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120621348
(2S,3R)-N-[(4-methoxyphenyl)methyl]-3-methyl-N-(1,3-thiazol-2-yl)oxolane-2-carboxamide
CID 97235832
N-[(2-methoxyphenyl)methyl]-N,2-dimethylpiperidine-4-carboxamide
CID 106739545
(2S,4S)-N-[(2-methoxyphenyl)methyl]-2-methyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
CID 120617754
N-(6-chloro-1-methylimidazo[4,5-c]pyridin-4-yl)-N-[(2,4-dimethoxyphenyl)methyl]cyclopropanecarboxamide
CID 126494683
(2S,4S)-N-[2-(4-methoxyphenoxy)ethyl]-N,2-dimethylpiperidine-4-carboxamide
CID 120618207
N-[(2,5-dimethoxyphenyl)methyl]-2-methylpiperidine-4-carboxamide
CID 106739773

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-N-[(2,4-dimethoxyphenyl)methyl]-2-methyl-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide;hydrochloride?
The IUPAC name of (2S,4S)-N-[(2,4-dimethoxyphenyl)methyl]-2-methyl-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide;hydrochloride (CID 120637099) is (2S,4S)-N-[(2,4-dimethoxyphenyl)methyl]-2-methyl-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for (2S,4S)-N-[(2,4-dimethoxyphenyl)methyl]-2-methyl-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for (2S,4S)-N-[(2,4-dimethoxyphenyl)methyl]-2-methyl-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide;hydrochloride is COc1ccc(CN(C(=O)[C@H]2CCN[C@@H](C)C2)c2nccs2)c(OC)c1.Cl.
What is the InChIKey of (2S,4S)-N-[(2,4-dimethoxyphenyl)methyl]-2-methyl-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide;hydrochloride?
The InChIKey is DDPOXFKMMNVIQH-IODNYQNNSA-N. The full InChI is InChI=1S/C19H25N3O3S.ClH/c1-13-10-14(6-7-20-13)18(23)22(19-21-8-9-26-19)12-15-4-5-16(24-2)11-17(15)25-3;/h4-5,8-9,11,13-14,20H,6-7,10,12H2,1-3H3;1H/t13-,14-;/m0./s1.
What are the key properties of (2S,4S)-N-[(2,4-dimethoxyphenyl)methyl]-2-methyl-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide;hydrochloride?
(2S,4S)-N-[(2,4-dimethoxyphenyl)methyl]-2-methyl-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide;hydrochloride has a molecular weight of 411.96 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-N-[(2,4-dimethoxyphenyl)methyl]-2-methyl-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120637099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).