N-cyclopropyl-N-[[3-[[(3R)-1-methylpiperidin-3-yl]methoxy]phenyl]methyl]-1,2,5-thiadiazole-3-carboxamide

C20H26N4O2S — CID 42501567

IUPACN-cyclopropyl-N-[[3-[[(3R)-1-methylpiperidin-3-yl]methoxy]phenyl]methyl]-1,2,5-thiadiazole-3-carboxamide
SMILESCN1CCC[C@@H](COc2cccc(CN(C(=O)c3cnsn3)C3CC3)c2)C1
InChIInChI=1S/C20H26N4O2S/c1-23-9-3-5-16(12-23)14-26-18-6-2-4-15(10-18)13-24(17-7-8-17)20(25)19-11-21-27-22-19/h2,4,6,10-11,16-17H,3,5,7-9,12-14H2,1H3/t16-/m1/s1
InChIKeyHAFARXLVASVHDE-MRXNPFEDSA-N
MW386.52 g/mol
LogP3.06
Rot. Bonds7

About N-cyclopropyl-N-[[3-[[(3R)-1-methylpiperidin-3-yl]methoxy]phenyl]methyl]-1,2,5-thiadiazole-3-carboxamide

N-cyclopropyl-N-[[3-[[(3R)-1-methylpiperidin-3-yl]methoxy]phenyl]methyl]-1,2,5-thiadiazole-3-carboxamide (PubChem CID 42501567) has the molecular formula C20H26N4O2S and a molecular weight of 386.52 g/mol. Its IUPAC name is N-cyclopropyl-N-[[3-[[(3R)-1-methylpiperidin-3-yl]methoxy]phenyl]methyl]-1,2,5-thiadiazole-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[[3-[[(3R)-1-methylpiperidin-3-yl]methoxy]phenyl]methyl]-1,2,5-thiadiazole-3-carboxamide
PubChem CID42501567
Molecular FormulaC20H26N4O2S
Molecular Weight386.52 g/mol
Exact Mass386.18
IUPAC NameN-cyclopropyl-N-[[3-[[(3R)-1-methylpiperidin-3-yl]methoxy]phenyl]methyl]-1,2,5-thiadiazole-3-carboxamide
SMILESCN1CCC[C@@H](COc2cccc(CN(C(=O)c3cnsn3)C3CC3)c2)C1
InChIInChI=1S/C20H26N4O2S/c1-23-9-3-5-16(12-23)14-26-18-6-2-4-15(10-18)13-24(17-7-8-17)20(25)19-11-21-27-22-19/h2,4,6,10-11,16-17H,3,5,7-9,12-14H2,1H3/t16-/m1/s1
InChIKeyHAFARXLVASVHDE-MRXNPFEDSA-N
XLogP3.06
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-cyclopropyl-N-[[3-[[(3R)-1-methylpiperidin-3-yl]methoxy]phenyl]methyl]-1,2,5-thiadiazole-3-carboxamide with MolForge

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Related Compounds

N-cyclopropyl-4-methyl-N-[[3-[(1-methylpiperidin-3-yl)methoxy]phenyl]methyl]benzamide
CID 45201934
N-cyclopropyl-N-[[3-[(1-methylpiperidin-3-yl)methoxy]phenyl]methyl]-4-phenylbenzamide
CID 45175801
cyclohexyl-[(3S)-3-[[3-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]phenoxy]methyl]piperidin-1-yl]methanone
CID 42499458
(3S)-3-[(3-iodophenoxy)methyl]-1-methylpiperidine
CID 165429240
N-[(3S)-2-oxoazepan-3-yl]-N-[[3-(2-thiophen-3-ylethoxy)phenyl]methyl]-1,2,5-thiadiazole-3-carboxamide
CID 42439205
(3-fluorophenyl)-[(3R)-3-[[3-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]phenoxy]methyl]piperidin-1-yl]methanone
CID 42368051
N-[[1-[2-(4-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-1,2,5-thiadiazole-3-carboxamide
CID 45199861
[(3R)-3-[[3-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]phenoxy]methyl]piperidin-1-yl]-(4-methylphenyl)methanone
CID 42162569
N-cyclopropyl-4-methyl-N-[[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]benzamide
CID 26320335
N-[[1-[2-(2-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-1,2,5-thiadiazole-3-carboxamide
CID 45198903
N-[(3-methoxyphenyl)methyl]-N-methyl-2-[3-(phenoxymethyl)piperidin-1-yl]acetamide
CID 86972335
N-cyclopropyl-N-[(3-ethoxyphenyl)methyl]-4-methylpyridine-3-carboxamide
CID 46998435

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[[3-[[(3R)-1-methylpiperidin-3-yl]methoxy]phenyl]methyl]-1,2,5-thiadiazole-3-carboxamide?
The IUPAC name of N-cyclopropyl-N-[[3-[[(3R)-1-methylpiperidin-3-yl]methoxy]phenyl]methyl]-1,2,5-thiadiazole-3-carboxamide (CID 42501567) is N-cyclopropyl-N-[[3-[[(3R)-1-methylpiperidin-3-yl]methoxy]phenyl]methyl]-1,2,5-thiadiazole-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-N-[[3-[[(3R)-1-methylpiperidin-3-yl]methoxy]phenyl]methyl]-1,2,5-thiadiazole-3-carboxamide?
The canonical SMILES for N-cyclopropyl-N-[[3-[[(3R)-1-methylpiperidin-3-yl]methoxy]phenyl]methyl]-1,2,5-thiadiazole-3-carboxamide is CN1CCC[C@@H](COc2cccc(CN(C(=O)c3cnsn3)C3CC3)c2)C1.
What is the InChIKey of N-cyclopropyl-N-[[3-[[(3R)-1-methylpiperidin-3-yl]methoxy]phenyl]methyl]-1,2,5-thiadiazole-3-carboxamide?
The InChIKey is HAFARXLVASVHDE-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H26N4O2S/c1-23-9-3-5-16(12-23)14-26-18-6-2-4-15(10-18)13-24(17-7-8-17)20(25)19-11-21-27-22-19/h2,4,6,10-11,16-17H,3,5,7-9,12-14H2,1H3/t16-/m1/s1.
What are the key properties of N-cyclopropyl-N-[[3-[[(3R)-1-methylpiperidin-3-yl]methoxy]phenyl]methyl]-1,2,5-thiadiazole-3-carboxamide?
N-cyclopropyl-N-[[3-[[(3R)-1-methylpiperidin-3-yl]methoxy]phenyl]methyl]-1,2,5-thiadiazole-3-carboxamide has a molecular weight of 386.52 g/mol, XLogP of 3.06, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[[3-[[(3R)-1-methylpiperidin-3-yl]methoxy]phenyl]methyl]-1,2,5-thiadiazole-3-carboxamide is sourced from PubChem (CID 42501567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).