N-(3-methoxy-1,2,4-thiadiazol-5-yl)-N-methyl-1-[2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]piperidine-4-carboxamide

C21H26N4O4S — CID 137448013

IUPACN-(3-methoxy-1,2,4-thiadiazol-5-yl)-N-methyl-1-[2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]piperidine-4-carboxamide
SMILESCOc1nsc(N(C)C(=O)C2CCN(CCc3ccc4c(c3C)COC4=O)CC2)n1
InChIInChI=1S/C21H26N4O4S/c1-13-14(4-5-16-17(13)12-29-19(16)27)6-9-25-10-7-15(8-11-25)18(26)24(2)21-22-20(28-3)23-30-21/h4-5,15H,6-12H2,1-3H3
InChIKeyUTLVKXRMBMDMRV-UHFFFAOYSA-N
MW430.53 g/mol
LogP2.44
Rot. Bonds6

About N-(3-methoxy-1,2,4-thiadiazol-5-yl)-N-methyl-1-[2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]piperidine-4-carboxamide

N-(3-methoxy-1,2,4-thiadiazol-5-yl)-N-methyl-1-[2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]piperidine-4-carboxamide (PubChem CID 137448013) has the molecular formula C21H26N4O4S and a molecular weight of 430.53 g/mol. Its IUPAC name is N-(3-methoxy-1,2,4-thiadiazol-5-yl)-N-methyl-1-[2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-methoxy-1,2,4-thiadiazol-5-yl)-N-methyl-1-[2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]piperidine-4-carboxamide
PubChem CID137448013
Molecular FormulaC21H26N4O4S
Molecular Weight430.53 g/mol
Exact Mass430.17
IUPAC NameN-(3-methoxy-1,2,4-thiadiazol-5-yl)-N-methyl-1-[2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]piperidine-4-carboxamide
SMILESCOc1nsc(N(C)C(=O)C2CCN(CCc3ccc4c(c3C)COC4=O)CC2)n1
InChIInChI=1S/C21H26N4O4S/c1-13-14(4-5-16-17(13)12-29-19(16)27)6-9-25-10-7-15(8-11-25)18(26)24(2)21-22-20(28-3)23-30-21/h4-5,15H,6-12H2,1-3H3
InChIKeyUTLVKXRMBMDMRV-UHFFFAOYSA-N
XLogP2.44
TPSA84.86 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.53
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze N-(3-methoxy-1,2,4-thiadiazol-5-yl)-N-methyl-1-[2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]piperidine-4-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

5-cyano-4-methoxy-N-[1-[2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]piperidin-4-yl]pyridine-2-carboxamide;ethane
CID 145414112
N-(4-cyano-2-methylphenyl)-1-[2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]piperidine-4-carboxamide
CID 118050101
3-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-N-(3-methoxy-1,2,4-thiadiazol-5-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide
CID 118057287
4-hydroxy-1-[2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-N-(3-methyl-1,2-thiazol-5-yl)piperidine-4-carboxamide
CID 137448006
5-[2-[2-(2-methoxy-4-pyridinyl)-2,8-diazaspiro[4.5]decan-8-yl]ethyl]-4-methyl-3H-2-benzofuran-1-one
CID 145069647
4-methyl-5-[2-[4-[2-oxo-2-[2-(tetrazol-1-yl)-4-pyridinyl]ethyl]piperidin-1-yl]ethyl]-3H-2-benzofuran-1-one
CID 118459893
2-(2,1-benzothiazol-3-yl)-8-[2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-2,8-diazaspiro[4.5]decan-1-one
CID 145064614
4-methyl-5-[2-[4-[2-(tetrazol-1-yl)-5,6,7,8-tetrahydroquinoline-5-carbonyl]piperazin-1-yl]ethyl]-3H-2-benzofuran-1-one
CID 69087540
4-methyl-5-[2-[4-[2-[2-methyl-6-(tetrazol-1-yl)-3-pyridinyl]propanoyl]piperazin-1-yl]ethyl]-3H-2-benzofuran-1-one
CID 69087446
6-[1-hydroxy-2-[4-[2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]piperazin-1-yl]ethyl]-4-methylpyridine-3-carbonitrile
CID 70833911
5-(2,3-dihydrotetrazol-1-yl)-N-[1-[2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]piperidin-4-yl]pyridine-2-carboxamide
CID 144636224
8-[2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-2-(2-methylpyrimidin-4-yl)-2,8-diazaspiro[4.5]decan-1-one
CID 145069621

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxy-1,2,4-thiadiazol-5-yl)-N-methyl-1-[2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]piperidine-4-carboxamide?
The IUPAC name of N-(3-methoxy-1,2,4-thiadiazol-5-yl)-N-methyl-1-[2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]piperidine-4-carboxamide (CID 137448013) is N-(3-methoxy-1,2,4-thiadiazol-5-yl)-N-methyl-1-[2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(3-methoxy-1,2,4-thiadiazol-5-yl)-N-methyl-1-[2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]piperidine-4-carboxamide?
The canonical SMILES for N-(3-methoxy-1,2,4-thiadiazol-5-yl)-N-methyl-1-[2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]piperidine-4-carboxamide is COc1nsc(N(C)C(=O)C2CCN(CCc3ccc4c(c3C)COC4=O)CC2)n1.
What is the InChIKey of N-(3-methoxy-1,2,4-thiadiazol-5-yl)-N-methyl-1-[2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]piperidine-4-carboxamide?
The InChIKey is UTLVKXRMBMDMRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O4S/c1-13-14(4-5-16-17(13)12-29-19(16)27)6-9-25-10-7-15(8-11-25)18(26)24(2)21-22-20(28-3)23-30-21/h4-5,15H,6-12H2,1-3H3.
What are the key properties of N-(3-methoxy-1,2,4-thiadiazol-5-yl)-N-methyl-1-[2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]piperidine-4-carboxamide?
N-(3-methoxy-1,2,4-thiadiazol-5-yl)-N-methyl-1-[2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]piperidine-4-carboxamide has a molecular weight of 430.53 g/mol, XLogP of 2.44, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxy-1,2,4-thiadiazol-5-yl)-N-methyl-1-[2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 137448013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).