4-(methoxymethyl)-N-[5-[(3-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide

C18H24N4O3S — CID 120631356

IUPAC4-(methoxymethyl)-N-[5-[(3-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide
SMILESCOCC1(C(=O)Nc2nnc(Cc3cccc(OC)c3)s2)CCNCC1
InChIInChI=1S/C18H24N4O3S/c1-24-12-18(6-8-19-9-7-18)16(23)20-17-22-21-15(26-17)11-13-4-3-5-14(10-13)25-2/h3-5,10,19H,6-9,11-12H2,1-2H3,(H,20,22,23)
InChIKeyYSRVFSJLZQNHMC-UHFFFAOYSA-N
MW376.48 g/mol
LogP2.09
Rot. Bonds7

About 4-(methoxymethyl)-N-[5-[(3-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide

4-(methoxymethyl)-N-[5-[(3-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide (PubChem CID 120631356) has the molecular formula C18H24N4O3S and a molecular weight of 376.48 g/mol. Its IUPAC name is 4-(methoxymethyl)-N-[5-[(3-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name4-(methoxymethyl)-N-[5-[(3-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide
PubChem CID120631356
Molecular FormulaC18H24N4O3S
Molecular Weight376.48 g/mol
Exact Mass376.16
IUPAC Name4-(methoxymethyl)-N-[5-[(3-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide
SMILESCOCC1(C(=O)Nc2nnc(Cc3cccc(OC)c3)s2)CCNCC1
InChIInChI=1S/C18H24N4O3S/c1-24-12-18(6-8-19-9-7-18)16(23)20-17-22-21-15(26-17)11-13-4-3-5-14(10-13)25-2/h3-5,10,19H,6-9,11-12H2,1-2H3,(H,20,22,23)
InChIKeyYSRVFSJLZQNHMC-UHFFFAOYSA-N
XLogP2.09
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120616725
(2S,4S)-N-[5-[(3-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120631353
2-amino-3-methoxy-N-[5-[(3-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]propanamide;hydrochloride
CID 120989341
5-[(3-methoxyphenyl)methyl]-N-methyl-1,3,4-thiadiazol-2-amine
CID 13272863
(2S)-2-amino-N-[5-[(3-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-methylbutanamide;hydrochloride
CID 119319877
N-[5-[(3-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-3,5-dimethyloxolane-2-carboxamide
CID 119040368
4-(methoxymethyl)-N-[3-[(4-methoxyphenyl)methoxymethyl]phenyl]piperidine-4-carboxamide
CID 120626262
4-(methoxymethyl)-N-[2-(3-methoxyphenoxy)propyl]piperidine-4-carboxamide;hydrochloride
CID 120636224
3-(3-methoxyphenyl)-N-[5-[4-[5-[3-(3-methoxyphenyl)propanoylamino]-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-yl]propanamide
CID 90165530
4-(methoxymethyl)-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 114041967
N-[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120619810
N-[(3-ethoxyphenyl)methyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120621206

Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-N-[5-[(3-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide?
The IUPAC name of 4-(methoxymethyl)-N-[5-[(3-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide (CID 120631356) is 4-(methoxymethyl)-N-[5-[(3-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for 4-(methoxymethyl)-N-[5-[(3-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide?
The canonical SMILES for 4-(methoxymethyl)-N-[5-[(3-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide is COCC1(C(=O)Nc2nnc(Cc3cccc(OC)c3)s2)CCNCC1.
What is the InChIKey of 4-(methoxymethyl)-N-[5-[(3-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide?
The InChIKey is YSRVFSJLZQNHMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3S/c1-24-12-18(6-8-19-9-7-18)16(23)20-17-22-21-15(26-17)11-13-4-3-5-14(10-13)25-2/h3-5,10,19H,6-9,11-12H2,1-2H3,(H,20,22,23).
What are the key properties of 4-(methoxymethyl)-N-[5-[(3-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide?
4-(methoxymethyl)-N-[5-[(3-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide has a molecular weight of 376.48 g/mol, XLogP of 2.09, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-N-[5-[(3-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 120631356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).