4-methoxy-N-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-4-carboxamide

C12H19N3O2S — CID 119861868

IUPAC4-methoxy-N-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-4-carboxamide
SMILESCOC1(C(=O)NCc2cnc(C)s2)CCNCC1
InChIInChI=1S/C12H19N3O2S/c1-9-14-7-10(18-9)8-15-11(16)12(17-2)3-5-13-6-4-12/h7,13H,3-6,8H2,1-2H3,(H,15,16)
InChIKeyDGUSYSKJCYMRKS-UHFFFAOYSA-N
MW269.37 g/mol
LogP0.84
Rot. Bonds4

About 4-methoxy-N-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-4-carboxamide

4-methoxy-N-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-4-carboxamide (PubChem CID 119861868) has the molecular formula C12H19N3O2S and a molecular weight of 269.37 g/mol. Its IUPAC name is 4-methoxy-N-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name4-methoxy-N-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-4-carboxamide
PubChem CID119861868
Molecular FormulaC12H19N3O2S
Molecular Weight269.37 g/mol
Exact Mass269.12
IUPAC Name4-methoxy-N-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-4-carboxamide
SMILESCOC1(C(=O)NCc2cnc(C)s2)CCNCC1
InChIInChI=1S/C12H19N3O2S/c1-9-14-7-10(18-9)8-15-11(16)12(17-2)3-5-13-6-4-12/h7,13H,3-6,8H2,1-2H3,(H,15,16)
InChIKeyDGUSYSKJCYMRKS-UHFFFAOYSA-N
XLogP0.84
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(methoxymethyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-4-carboxamide;dihydrochloride
CID 120645205
3-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrolidine-3-carboxamide;dihydrochloride
CID 119861848
N-[(5-bromothiophen-2-yl)methyl]-4-methoxypiperidine-4-carboxamide
CID 119730034
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-propylpyrrolidine-3-carboxamide
CID 63141539
4-methoxy-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-4-carboxamide;dihydrochloride
CID 119859315
N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-4-methoxypiperidine-4-carboxamide;dihydrochloride
CID 119896020
4-methoxy-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-4-carboxamide
CID 113266923
N-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-4-carboxamide;dihydrochloride
CID 119861838
N-[(4-chlorophenyl)methyl]-4-methoxypiperidine-4-carboxamide
CID 119669752
N-[[4-(ethoxymethyl)phenyl]methyl]-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119718289
4-methoxy-N-[(4-propan-2-ylphenyl)methyl]piperidine-4-carboxamide
CID 119716391
4-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrolidine-3-carboxamide
CID 63714175

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-4-carboxamide?
The IUPAC name of 4-methoxy-N-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-4-carboxamide (CID 119861868) is 4-methoxy-N-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 4-methoxy-N-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 4-methoxy-N-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-4-carboxamide is COC1(C(=O)NCc2cnc(C)s2)CCNCC1.
What is the InChIKey of 4-methoxy-N-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-4-carboxamide?
The InChIKey is DGUSYSKJCYMRKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2S/c1-9-14-7-10(18-9)8-15-11(16)12(17-2)3-5-13-6-4-12/h7,13H,3-6,8H2,1-2H3,(H,15,16).
What are the key properties of 4-methoxy-N-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-4-carboxamide?
4-methoxy-N-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-4-carboxamide has a molecular weight of 269.37 g/mol, XLogP of 0.84, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 119861868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).