(3R)-1-cyclopentyl-N-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]-6-oxopiperidine-3-carboxamide

C18H28N4O2S — CID 97120250

IUPAC(3R)-1-cyclopentyl-N-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]-6-oxopiperidine-3-carboxamide
SMILESCc1[nH]cnc1CSCCNC(=O)[C@@H]1CCC(=O)N(C2CCCC2)C1
InChIInChI=1S/C18H28N4O2S/c1-13-16(21-12-20-13)11-25-9-8-19-18(24)14-6-7-17(23)22(10-14)15-4-2-3-5-15/h12,14-15H,2-11H2,1H3,(H,19,24)(H,20,21)/t14-/m1/s1
InChIKeyJUNUOENNWJWIES-CQSZACIVSA-N
MW364.52 g/mol
LogP2.25
Rot. Bonds7

About (3R)-1-cyclopentyl-N-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]-6-oxopiperidine-3-carboxamide

(3R)-1-cyclopentyl-N-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]-6-oxopiperidine-3-carboxamide (PubChem CID 97120250) has the molecular formula C18H28N4O2S and a molecular weight of 364.52 g/mol. Its IUPAC name is (3R)-1-cyclopentyl-N-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-cyclopentyl-N-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]-6-oxopiperidine-3-carboxamide
PubChem CID97120250
Molecular FormulaC18H28N4O2S
Molecular Weight364.52 g/mol
Exact Mass364.19
IUPAC Name(3R)-1-cyclopentyl-N-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]-6-oxopiperidine-3-carboxamide
SMILESCc1[nH]cnc1CSCCNC(=O)[C@@H]1CCC(=O)N(C2CCCC2)C1
InChIInChI=1S/C18H28N4O2S/c1-13-16(21-12-20-13)11-25-9-8-19-18(24)14-6-7-17(23)22(10-14)15-4-2-3-5-15/h12,14-15H,2-11H2,1H3,(H,19,24)(H,20,21)/t14-/m1/s1
InChIKeyJUNUOENNWJWIES-CQSZACIVSA-N
XLogP2.25
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.52
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imidazole_B(2)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (3R)-1-cyclopentyl-N-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]-6-oxopiperidine-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

1-cycloheptyl-N-(2-methylsulfanylethyl)-6-oxopiperidine-3-carboxamide
CID 45195665
1-cyclopentyl-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]-5-oxopyrrolidine-3-carboxamide
CID 55381016
(3R)-1-cyclopentyl-N-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]-6-oxopiperidine-3-carboxamide
CID 42525281
(3R)-1-cycloheptyl-6-oxo-N-[2-(1,3-thiazol-2-yl)ethyl]piperidine-3-carboxamide
CID 42245576
1-cycloheptyl-6-oxo-N-[2-(1,3-thiazol-2-yl)ethyl]piperidine-3-carboxamide
CID 45238528
(3R)-1-cyclopropyl-N-[2-(1H-imidazol-5-yl)ethyl]-6-oxopiperidine-3-carboxamide
CID 97135466
(3S)-1-cyclopentyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-6-oxopiperidine-3-carboxamide
CID 97141950
1-cyclopentyl-N-[(2,3-difluoro-4-methylphenyl)methyl]-6-oxopiperidine-3-carboxamide
CID 24817350
(3R)-1-cycloheptyl-6-oxo-N-(pyrimidin-4-ylmethyl)piperidine-3-carboxamide
CID 97144634
(3R)-1-cycloheptyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide
CID 97130097
1-cyclopentyl-N-[(5-methylthiophen-2-yl)methyl]-6-oxopiperidine-3-carboxamide
CID 45195394
(3S)-1-cycloheptyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-6-oxopiperidine-3-carboxamide
CID 42241808

Frequently Asked Questions

What is the IUPAC name of (3R)-1-cyclopentyl-N-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]-6-oxopiperidine-3-carboxamide?
The IUPAC name of (3R)-1-cyclopentyl-N-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]-6-oxopiperidine-3-carboxamide (CID 97120250) is (3R)-1-cyclopentyl-N-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-cyclopentyl-N-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]-6-oxopiperidine-3-carboxamide?
The canonical SMILES for (3R)-1-cyclopentyl-N-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]-6-oxopiperidine-3-carboxamide is Cc1[nH]cnc1CSCCNC(=O)[C@@H]1CCC(=O)N(C2CCCC2)C1.
What is the InChIKey of (3R)-1-cyclopentyl-N-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]-6-oxopiperidine-3-carboxamide?
The InChIKey is JUNUOENNWJWIES-CQSZACIVSA-N. The full InChI is InChI=1S/C18H28N4O2S/c1-13-16(21-12-20-13)11-25-9-8-19-18(24)14-6-7-17(23)22(10-14)15-4-2-3-5-15/h12,14-15H,2-11H2,1H3,(H,19,24)(H,20,21)/t14-/m1/s1.
What are the key properties of (3R)-1-cyclopentyl-N-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]-6-oxopiperidine-3-carboxamide?
(3R)-1-cyclopentyl-N-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]-6-oxopiperidine-3-carboxamide has a molecular weight of 364.52 g/mol, XLogP of 2.25, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-cyclopentyl-N-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 97120250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).