4-(methoxymethyl)-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide;dihydrochloride

C16H28Cl2N4O3S — CID 120639856

IUPAC4-(methoxymethyl)-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide;dihydrochloride
SMILESCOCC1(C(=O)Nc2nc(CN3CCOCC3)cs2)CCNCC1.Cl.Cl
InChIInChI=1S/C16H26N4O3S.2ClH/c1-22-12-16(2-4-17-5-3-16)14(21)19-15-18-13(11-24-15)10-20-6-8-23-9-7-20;;/h11,17H,2-10,12H2,1H3,(H,18,19,21);2*1H
InChIKeyUVTZNBLFCKMDFH-UHFFFAOYSA-N
MW427.40 g/mol
LogP1.77
Rot. Bonds6

About 4-(methoxymethyl)-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide;dihydrochloride

4-(methoxymethyl)-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide;dihydrochloride (PubChem CID 120639856) has the molecular formula C16H28Cl2N4O3S and a molecular weight of 427.40 g/mol. Its IUPAC name is 4-(methoxymethyl)-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide;dihydrochloride.

Molecular Properties

Compound Name4-(methoxymethyl)-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide;dihydrochloride
PubChem CID120639856
Molecular FormulaC16H28Cl2N4O3S
Molecular Weight427.40 g/mol
Exact Mass426.13
IUPAC Name4-(methoxymethyl)-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide;dihydrochloride
SMILESCOCC1(C(=O)Nc2nc(CN3CCOCC3)cs2)CCNCC1.Cl.Cl
InChIInChI=1S/C16H26N4O3S.2ClH/c1-22-12-16(2-4-17-5-3-16)14(21)19-15-18-13(11-24-15)10-20-6-8-23-9-7-20;;/h11,17H,2-10,12H2,1H3,(H,18,19,21);2*1H
InChIKeyUVTZNBLFCKMDFH-UHFFFAOYSA-N
XLogP1.77
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.40
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-(methoxymethyl)-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide;dihydrochloride with MolForge

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Related Compounds

4-(methoxymethyl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide;dihydrochloride
CID 120639846
N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120623224
1-amino-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]cyclohexane-1-carboxamide
CID 119830558
1-methyl-3-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]urea
CID 47173590
(2S)-2-amino-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]propanamide;dihydrochloride
CID 119830551
4-methyl-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]pentanamide
CID 47106209
1-(4-chlorophenyl)-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]cyclobutane-1-carboxamide
CID 78776007
1-(4-chlorophenyl)-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]cyclopentane-1-carboxamide
CID 112761977
2-amino-2-methyl-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]propanamide
CID 119830508
2-(4-hydroxyphenyl)-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]acetamide
CID 78837285
4-(methoxymethyl)-N-(6-morpholin-4-yl-3-pyridinyl)piperidine-4-carboxamide;dihydrochloride
CID 120640895
1-[(3,4-dichlorophenyl)methyl]-3-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]urea;hydrochloride
CID 87736854

Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide;dihydrochloride?
The IUPAC name of 4-(methoxymethyl)-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide;dihydrochloride (CID 120639856) is 4-(methoxymethyl)-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide;dihydrochloride.
What is the SMILES notation for 4-(methoxymethyl)-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide;dihydrochloride?
The canonical SMILES for 4-(methoxymethyl)-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide;dihydrochloride is COCC1(C(=O)Nc2nc(CN3CCOCC3)cs2)CCNCC1.Cl.Cl.
What is the InChIKey of 4-(methoxymethyl)-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide;dihydrochloride?
The InChIKey is UVTZNBLFCKMDFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O3S.2ClH/c1-22-12-16(2-4-17-5-3-16)14(21)19-15-18-13(11-24-15)10-20-6-8-23-9-7-20;;/h11,17H,2-10,12H2,1H3,(H,18,19,21);2*1H.
What are the key properties of 4-(methoxymethyl)-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide;dihydrochloride?
4-(methoxymethyl)-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide;dihydrochloride has a molecular weight of 427.40 g/mol, XLogP of 1.77, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide;dihydrochloride is sourced from PubChem (CID 120639856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).