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

C19H23N5O3S — CID 22513372

IUPACN-(4-methoxyphenyl)-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide
SMILESCOc1ccc(NC(=O)C2CCN(c3nnc(N4CCCC4=O)s3)CC2)cc1
InChIInChI=1S/C19H23N5O3S/c1-27-15-6-4-14(5-7-15)20-17(26)13-8-11-23(12-9-13)18-21-22-19(28-18)24-10-2-3-16(24)25/h4-7,13H,2-3,8-12H2,1H3,(H,20,26)
InChIKeyIAKRLCNYJSBCGQ-UHFFFAOYSA-N
MW401.49 g/mol
LogP2.53
Rot. Bonds5

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

N-(4-methoxyphenyl)-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide (PubChem CID 22513372) has the molecular formula C19H23N5O3S and a molecular weight of 401.49 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide
PubChem CID22513372
Molecular FormulaC19H23N5O3S
Molecular Weight401.49 g/mol
Exact Mass401.15
IUPAC NameN-(4-methoxyphenyl)-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide
SMILESCOc1ccc(NC(=O)C2CCN(c3nnc(N4CCCC4=O)s3)CC2)cc1
InChIInChI=1S/C19H23N5O3S/c1-27-15-6-4-14(5-7-15)20-17(26)13-8-11-23(12-9-13)18-21-22-19(28-18)24-10-2-3-16(24)25/h4-7,13H,2-3,8-12H2,1H3,(H,20,26)
InChIKeyIAKRLCNYJSBCGQ-UHFFFAOYSA-N
XLogP2.53
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.49
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide?
The IUPAC name of N-(4-methoxyphenyl)-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide (CID 22513372) is N-(4-methoxyphenyl)-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-(4-methoxyphenyl)-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide?
The canonical SMILES for N-(4-methoxyphenyl)-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide is COc1ccc(NC(=O)C2CCN(c3nnc(N4CCCC4=O)s3)CC2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide?
The InChIKey is IAKRLCNYJSBCGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O3S/c1-27-15-6-4-14(5-7-15)20-17(26)13-8-11-23(12-9-13)18-21-22-19(28-18)24-10-2-3-16(24)25/h4-7,13H,2-3,8-12H2,1H3,(H,20,26).
What are the key properties of N-(4-methoxyphenyl)-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide?
N-(4-methoxyphenyl)-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide has a molecular weight of 401.49 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 22513372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).