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

C17H26N4O2S2 — CID 42525281

IUPAC(3R)-1-cyclopentyl-N-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]-6-oxopiperidine-3-carboxamide
SMILESCc1nnc(SCCCNC(=O)[C@@H]2CCC(=O)N(C3CCCC3)C2)s1
InChIInChI=1S/C17H26N4O2S2/c1-12-19-20-17(25-12)24-10-4-9-18-16(23)13-7-8-15(22)21(11-13)14-5-2-3-6-14/h13-14H,2-11H2,1H3,(H,18,23)/t13-/m1/s1
InChIKeyXJBPFLYURKLPTF-CYBMUJFWSA-N
MW382.56 g/mol
LogP2.63
Rot. Bonds7

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

(3R)-1-cyclopentyl-N-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]-6-oxopiperidine-3-carboxamide (PubChem CID 42525281) has the molecular formula C17H26N4O2S2 and a molecular weight of 382.56 g/mol. Its IUPAC name is (3R)-1-cyclopentyl-N-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-cyclopentyl-N-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]-6-oxopiperidine-3-carboxamide
PubChem CID42525281
Molecular FormulaC17H26N4O2S2
Molecular Weight382.56 g/mol
Exact Mass382.15
IUPAC Name(3R)-1-cyclopentyl-N-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]-6-oxopiperidine-3-carboxamide
SMILESCc1nnc(SCCCNC(=O)[C@@H]2CCC(=O)N(C3CCCC3)C2)s1
InChIInChI=1S/C17H26N4O2S2/c1-12-19-20-17(25-12)24-10-4-9-18-16(23)13-7-8-15(22)21(11-13)14-5-2-3-6-14/h13-14H,2-11H2,1H3,(H,18,23)/t13-/m1/s1
InChIKeyXJBPFLYURKLPTF-CYBMUJFWSA-N
XLogP2.63
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.56
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (3R)-1-cyclopentyl-N-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]-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-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]-1-(2-morpholin-4-ylethyl)-6-oxopiperidine-3-carboxamide
CID 25279526
1-cycloheptyl-N-(2-methylsulfanylethyl)-6-oxopiperidine-3-carboxamide
CID 45195665
(3S)-1-cyclopentyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-6-oxopiperidine-3-carboxamide
CID 97141950
(3R)-1-cycloheptyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide
CID 97130097
(3R)-N-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 97207934
1-cyclopentyl-N-[(5-methylthiophen-2-yl)methyl]-6-oxopiperidine-3-carboxamide
CID 45195394
(3R)-1-cyclohexyl-N-[5-(2-methoxyethylsulfanyl)-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 40590696
(3R)-1-cyclopentyl-N-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]-6-oxopiperidine-3-carboxamide
CID 97120250
N-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]-2,3,4,5-tetrahydro-1-benzoxepine-4-carboxamide
CID 72868502
6,6-dimethyl-N-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]-5-oxothiomorpholine-3-carboxamide
CID 74241635
(3S)-1-cyclopropyl-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 97150664
(3R)-1-cycloheptyl-6-oxo-N-[2-(1,3-thiazol-2-yl)ethyl]piperidine-3-carboxamide
CID 42245576

Frequently Asked Questions

What is the IUPAC name of (3R)-1-cyclopentyl-N-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]-6-oxopiperidine-3-carboxamide?
The IUPAC name of (3R)-1-cyclopentyl-N-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]-6-oxopiperidine-3-carboxamide (CID 42525281) is (3R)-1-cyclopentyl-N-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-cyclopentyl-N-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]-6-oxopiperidine-3-carboxamide?
The canonical SMILES for (3R)-1-cyclopentyl-N-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]-6-oxopiperidine-3-carboxamide is Cc1nnc(SCCCNC(=O)[C@@H]2CCC(=O)N(C3CCCC3)C2)s1.
What is the InChIKey of (3R)-1-cyclopentyl-N-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]-6-oxopiperidine-3-carboxamide?
The InChIKey is XJBPFLYURKLPTF-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H26N4O2S2/c1-12-19-20-17(25-12)24-10-4-9-18-16(23)13-7-8-15(22)21(11-13)14-5-2-3-6-14/h13-14H,2-11H2,1H3,(H,18,23)/t13-/m1/s1.
What are the key properties of (3R)-1-cyclopentyl-N-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]-6-oxopiperidine-3-carboxamide?
(3R)-1-cyclopentyl-N-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]-6-oxopiperidine-3-carboxamide has a molecular weight of 382.56 g/mol, XLogP of 2.63, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-cyclopentyl-N-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 42525281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).