1-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-5-oxo-N-(2-piperidin-1-ylethyl)pyrrolidine-3-carboxamide

C16H25N5O3S — CID 154568933

IUPAC1-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-5-oxo-N-(2-piperidin-1-ylethyl)pyrrolidine-3-carboxamide
SMILESCOCc1nnc(N2CC(C(=O)NCCN3CCCCC3)CC2=O)s1
InChIInChI=1S/C16H25N5O3S/c1-24-11-13-18-19-16(25-13)21-10-12(9-14(21)22)15(23)17-5-8-20-6-3-2-4-7-20/h12H,2-11H2,1H3,(H,17,23)
InChIKeyNGHCWVUBGQBOIB-UHFFFAOYSA-N
MW367.48 g/mol
LogP0.64
Rot. Bonds7

About 1-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-5-oxo-N-(2-piperidin-1-ylethyl)pyrrolidine-3-carboxamide

1-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-5-oxo-N-(2-piperidin-1-ylethyl)pyrrolidine-3-carboxamide (PubChem CID 154568933) has the molecular formula C16H25N5O3S and a molecular weight of 367.48 g/mol. Its IUPAC name is 1-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-5-oxo-N-(2-piperidin-1-ylethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-5-oxo-N-(2-piperidin-1-ylethyl)pyrrolidine-3-carboxamide
PubChem CID154568933
Molecular FormulaC16H25N5O3S
Molecular Weight367.48 g/mol
Exact Mass367.17
IUPAC Name1-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-5-oxo-N-(2-piperidin-1-ylethyl)pyrrolidine-3-carboxamide
SMILESCOCc1nnc(N2CC(C(=O)NCCN3CCCCC3)CC2=O)s1
InChIInChI=1S/C16H25N5O3S/c1-24-11-13-18-19-16(25-13)21-10-12(9-14(21)22)15(23)17-5-8-20-6-3-2-4-7-20/h12H,2-11H2,1H3,(H,17,23)
InChIKeyNGHCWVUBGQBOIB-UHFFFAOYSA-N
XLogP0.64
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.48
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-cyclohexyl-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 2987441
1-cyclopentyl-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 6497389
1-cyclopentyl-N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 6471594
1-tert-butyl-N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 6497367
4-(Fluoromethyl)-1-{1-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]piperidin-4-yl}pyrrolidin-2-one
CID 126899906
4-[(4,4-Difluoro-1-piperidinyl)carbonyl]-1-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-2-pyrrolidinone
CID 155501398
1-[5-(Methoxymethyl)-1,3,4-thiadiazol-2-yl]-4-{[4-(trifluoromethyl)-1-piperidinyl]carbonyl}-2-pyrrolidinone
CID 155508726
2-(1-cyclopentyl-3-oxopiperazin-2-yl)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 46970498
N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]acetamide
CID 56865912
1-tert-butyl-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-5-oxo-3-pyrrolidinecarboxamide
CID 6472971
1-(1-methoxypropan-2-yl)-5-oxo-N-[5-(pentan-2-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-3-carboxamide
CID 6497401
(3R)-1-cyclohexyl-N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 7354604

Frequently Asked Questions

What is the IUPAC name of 1-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-5-oxo-N-(2-piperidin-1-ylethyl)pyrrolidine-3-carboxamide?
The IUPAC name of 1-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-5-oxo-N-(2-piperidin-1-ylethyl)pyrrolidine-3-carboxamide (CID 154568933) is 1-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-5-oxo-N-(2-piperidin-1-ylethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-5-oxo-N-(2-piperidin-1-ylethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 1-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-5-oxo-N-(2-piperidin-1-ylethyl)pyrrolidine-3-carboxamide is COCc1nnc(N2CC(C(=O)NCCN3CCCCC3)CC2=O)s1.
What is the InChIKey of 1-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-5-oxo-N-(2-piperidin-1-ylethyl)pyrrolidine-3-carboxamide?
The InChIKey is NGHCWVUBGQBOIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O3S/c1-24-11-13-18-19-16(25-13)21-10-12(9-14(21)22)15(23)17-5-8-20-6-3-2-4-7-20/h12H,2-11H2,1H3,(H,17,23).
What are the key properties of 1-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-5-oxo-N-(2-piperidin-1-ylethyl)pyrrolidine-3-carboxamide?
1-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-5-oxo-N-(2-piperidin-1-ylethyl)pyrrolidine-3-carboxamide has a molecular weight of 367.48 g/mol, XLogP of 0.64, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-5-oxo-N-(2-piperidin-1-ylethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 154568933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).