N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(1,3-thiazol-2-yl)propanamide;dihydrochloride

C14H25Cl2N3O2S — CID 120891633

IUPACN-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(1,3-thiazol-2-yl)propanamide;dihydrochloride
SMILESCOCC1(CNC(=O)CCc2nccs2)CCNCC1.Cl.Cl
InChIInChI=1S/C14H23N3O2S.2ClH/c1-19-11-14(4-6-15-7-5-14)10-17-12(18)2-3-13-16-8-9-20-13;;/h8-9,15H,2-7,10-11H2,1H3,(H,17,18);2*1H
InChIKeyCORKZXZNLSUYGH-UHFFFAOYSA-N
MW370.35 g/mol
LogP2.05
Rot. Bonds7

About N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(1,3-thiazol-2-yl)propanamide;dihydrochloride

N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(1,3-thiazol-2-yl)propanamide;dihydrochloride (PubChem CID 120891633) has the molecular formula C14H25Cl2N3O2S and a molecular weight of 370.35 g/mol. Its IUPAC name is N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(1,3-thiazol-2-yl)propanamide;dihydrochloride.

Molecular Properties

Compound NameN-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(1,3-thiazol-2-yl)propanamide;dihydrochloride
PubChem CID120891633
Molecular FormulaC14H25Cl2N3O2S
Molecular Weight370.35 g/mol
Exact Mass369.10
IUPAC NameN-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(1,3-thiazol-2-yl)propanamide;dihydrochloride
SMILESCOCC1(CNC(=O)CCc2nccs2)CCNCC1.Cl.Cl
InChIInChI=1S/C14H23N3O2S.2ClH/c1-19-11-14(4-6-15-7-5-14)10-17-12(18)2-3-13-16-8-9-20-13;;/h8-9,15H,2-7,10-11H2,1H3,(H,17,18);2*1H
InChIKeyCORKZXZNLSUYGH-UHFFFAOYSA-N
XLogP2.05
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.35
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide;hydrochloride
CID 120890024
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 120889609
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(4-propoxyphenyl)propanamide
CID 120891684
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]propanamide;hydrochloride
CID 120887952
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-pyrazol-1-ylpropanamide;dihydrochloride
CID 120891919
3-(4-chlorophenoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]propanamide
CID 120890837
3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]propanamide
CID 120891385
3-(2-methoxyethoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]propanamide
CID 120888133
2-(2,6-dimethylphenoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide;hydrochloride
CID 120889634
4-(4-fluorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-oxobutanamide;hydrochloride
CID 120890290
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(1H-pyrazol-5-yl)acetamide;dihydrochloride
CID 120887674
3-(3-bromophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]propanamide
CID 120891255

Frequently Asked Questions

What is the IUPAC name of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(1,3-thiazol-2-yl)propanamide;dihydrochloride?
The IUPAC name of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(1,3-thiazol-2-yl)propanamide;dihydrochloride (CID 120891633) is N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(1,3-thiazol-2-yl)propanamide;dihydrochloride.
What is the SMILES notation for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(1,3-thiazol-2-yl)propanamide;dihydrochloride?
The canonical SMILES for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(1,3-thiazol-2-yl)propanamide;dihydrochloride is COCC1(CNC(=O)CCc2nccs2)CCNCC1.Cl.Cl.
What is the InChIKey of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(1,3-thiazol-2-yl)propanamide;dihydrochloride?
The InChIKey is CORKZXZNLSUYGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S.2ClH/c1-19-11-14(4-6-15-7-5-14)10-17-12(18)2-3-13-16-8-9-20-13;;/h8-9,15H,2-7,10-11H2,1H3,(H,17,18);2*1H.
What are the key properties of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(1,3-thiazol-2-yl)propanamide;dihydrochloride?
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(1,3-thiazol-2-yl)propanamide;dihydrochloride has a molecular weight of 370.35 g/mol, XLogP of 2.05, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(1,3-thiazol-2-yl)propanamide;dihydrochloride is sourced from PubChem (CID 120891633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).