(3R)-N-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]-1-(2-morpholin-4-ylethyl)-6-oxopiperidine-3-carboxamide

C18H29N5O3S2 — CID 25279526

IUPAC(3R)-N-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]-1-(2-morpholin-4-ylethyl)-6-oxopiperidine-3-carboxamide
SMILESCc1nnc(SCCCNC(=O)[C@@H]2CCC(=O)N(CCN3CCOCC3)C2)s1
InChIInChI=1S/C18H29N5O3S2/c1-14-20-21-18(28-14)27-12-2-5-19-17(25)15-3-4-16(24)23(13-15)7-6-22-8-10-26-11-9-22/h15H,2-13H2,1H3,(H,19,25)/t15-/m1/s1
InChIKeyKNPVMOPJHAWYMB-OAHLLOKOSA-N
MW427.60 g/mol
LogP1.02
Rot. Bonds9

About (3R)-N-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]-1-(2-morpholin-4-ylethyl)-6-oxopiperidine-3-carboxamide

(3R)-N-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]-1-(2-morpholin-4-ylethyl)-6-oxopiperidine-3-carboxamide (PubChem CID 25279526) has the molecular formula C18H29N5O3S2 and a molecular weight of 427.60 g/mol. Its IUPAC name is (3R)-N-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]-1-(2-morpholin-4-ylethyl)-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]-1-(2-morpholin-4-ylethyl)-6-oxopiperidine-3-carboxamide
PubChem CID25279526
Molecular FormulaC18H29N5O3S2
Molecular Weight427.60 g/mol
Exact Mass427.17
IUPAC Name(3R)-N-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]-1-(2-morpholin-4-ylethyl)-6-oxopiperidine-3-carboxamide
SMILESCc1nnc(SCCCNC(=O)[C@@H]2CCC(=O)N(CCN3CCOCC3)C2)s1
InChIInChI=1S/C18H29N5O3S2/c1-14-20-21-18(28-14)27-12-2-5-19-17(25)15-3-4-16(24)23(13-15)7-6-22-8-10-26-11-9-22/h15H,2-13H2,1H3,(H,19,25)/t15-/m1/s1
InChIKeyKNPVMOPJHAWYMB-OAHLLOKOSA-N
XLogP1.02
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.60
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (3R)-N-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]-1-(2-morpholin-4-ylethyl)-6-oxopiperidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R)-N-(3-methylsulfanylpropyl)-1-(3-morpholin-4-ylpropyl)-6-oxopiperidine-3-carboxamide
CID 28768875
(3R)-N-(2-methylsulfanylethyl)-1-(2-morpholin-4-ylethyl)-6-oxopiperidine-3-carboxamide
CID 30853089
(3R)-1-cyclopentyl-N-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]-6-oxopiperidine-3-carboxamide
CID 42525281
N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-1-(2-morpholin-4-ylethyl)-6-oxopiperidine-3-carboxamide
CID 56708569
(3R)-1-(3-morpholin-4-ylpropyl)-6-oxo-N-(3-pyrazol-1-ylpropyl)piperidine-3-carboxamide
CID 25375014
(3R)-1-(2-morpholin-4-ylethyl)-6-oxo-N-(2H-tetrazol-5-ylmethyl)piperidine-3-carboxamide
CID 97142337
(3S)-1-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]-5-oxopyrrolidine-3-carboxylic acid
CID 95129544
1-(3-morpholin-4-ylpropyl)-6-oxo-N-(2-pyrazol-1-ylethyl)piperidine-3-carboxamide
CID 72924482
(3R)-1-[2-(4-methoxyphenyl)ethyl]-N-(3-morpholin-4-ylpropyl)-6-oxopiperidine-3-carboxamide
CID 25371985
(3R)-N-[2-(4-ethyl-1,3-thiazol-2-yl)ethyl]-1-(3-morpholin-4-ylpropyl)-6-oxopiperidine-3-carboxamide
CID 31015905
(3S)-N-[2-(4-ethyl-1,3-thiazol-2-yl)ethyl]-1-(3-morpholin-4-ylpropyl)-6-oxopiperidine-3-carboxamide
CID 31015907
(3R)-N-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 97207934

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]-1-(2-morpholin-4-ylethyl)-6-oxopiperidine-3-carboxamide?
The IUPAC name of (3R)-N-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]-1-(2-morpholin-4-ylethyl)-6-oxopiperidine-3-carboxamide (CID 25279526) is (3R)-N-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]-1-(2-morpholin-4-ylethyl)-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]-1-(2-morpholin-4-ylethyl)-6-oxopiperidine-3-carboxamide?
The canonical SMILES for (3R)-N-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]-1-(2-morpholin-4-ylethyl)-6-oxopiperidine-3-carboxamide is Cc1nnc(SCCCNC(=O)[C@@H]2CCC(=O)N(CCN3CCOCC3)C2)s1.
What is the InChIKey of (3R)-N-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]-1-(2-morpholin-4-ylethyl)-6-oxopiperidine-3-carboxamide?
The InChIKey is KNPVMOPJHAWYMB-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H29N5O3S2/c1-14-20-21-18(28-14)27-12-2-5-19-17(25)15-3-4-16(24)23(13-15)7-6-22-8-10-26-11-9-22/h15H,2-13H2,1H3,(H,19,25)/t15-/m1/s1.
What are the key properties of (3R)-N-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]-1-(2-morpholin-4-ylethyl)-6-oxopiperidine-3-carboxamide?
(3R)-N-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]-1-(2-morpholin-4-ylethyl)-6-oxopiperidine-3-carboxamide has a molecular weight of 427.60 g/mol, XLogP of 1.02, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]-1-(2-morpholin-4-ylethyl)-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 25279526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).