(3R)-3-(1H-imidazol-2-yl)-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]piperidine-1-carboxamide

C13H20N8OS — CID 126451352

IUPAC(3R)-3-(1H-imidazol-2-yl)-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]piperidine-1-carboxamide
SMILESCn1nnnc1SCCNC(=O)N1CCC[C@@H](c2ncc[nH]2)C1
InChIInChI=1S/C13H20N8OS/c1-20-13(17-18-19-20)23-8-6-16-12(22)21-7-2-3-10(9-21)11-14-4-5-15-11/h4-5,10H,2-3,6-9H2,1H3,(H,14,15)(H,16,22)/t10-/m1/s1
InChIKeyXYIQXSVBGRZRCZ-SNVBAGLBSA-N
MW336.43 g/mol
LogP0.61
Rot. Bonds5

About (3R)-3-(1H-imidazol-2-yl)-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]piperidine-1-carboxamide

(3R)-3-(1H-imidazol-2-yl)-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]piperidine-1-carboxamide (PubChem CID 126451352) has the molecular formula C13H20N8OS and a molecular weight of 336.43 g/mol. Its IUPAC name is (3R)-3-(1H-imidazol-2-yl)-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-3-(1H-imidazol-2-yl)-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]piperidine-1-carboxamide
PubChem CID126451352
Molecular FormulaC13H20N8OS
Molecular Weight336.43 g/mol
Exact Mass336.15
IUPAC Name(3R)-3-(1H-imidazol-2-yl)-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]piperidine-1-carboxamide
SMILESCn1nnnc1SCCNC(=O)N1CCC[C@@H](c2ncc[nH]2)C1
InChIInChI=1S/C13H20N8OS/c1-20-13(17-18-19-20)23-8-6-16-12(22)21-7-2-3-10(9-21)11-14-4-5-15-11/h4-5,10H,2-3,6-9H2,1H3,(H,14,15)(H,16,22)/t10-/m1/s1
InChIKeyXYIQXSVBGRZRCZ-SNVBAGLBSA-N
XLogP0.61
TPSA104.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.43
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

formic acid;3-(1H-imidazol-2-yl)-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-1-carboxamide
CID 154907745
(3R)-3-(1H-imidazol-2-yl)-N-[3-(4-methylphenyl)propyl]piperidine-1-carboxamide
CID 126437006
3-(1H-imidazol-2-yl)piperidine-1-carboxylic acid
CID 90026172
2-(1-ethyltriazol-4-yl)-1-[3-(1H-imidazol-2-yl)piperidin-1-yl]ethanone
CID 136563425
N-[3-(furan-2-yl)propyl]-3-(1H-imidazol-2-yl)piperidine-1-carboxamide
CID 122562007
(3S)-3-(1H-imidazol-2-yl)-N-[(2R)-2-phenylsulfanylpropyl]piperidine-1-carboxamide
CID 95968867
(3R)-N-[2-(2,5-difluorophenyl)ethyl]-3-(1H-imidazol-2-yl)piperidine-1-carboxamide
CID 97319285
2-cyclopropyl-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]-6-oxo-1H-pyrimidine-5-carboxamide
CID 70752444
3-(1H-imidazol-2-yl)-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]piperidine-1-carboxamide
CID 166188674
3-(1H-imidazol-2-yl)-N-(2-methyl-3-morpholin-4-ylpropyl)piperidine-1-carboxamide
CID 127345387
(3S)-3-(1H-imidazol-2-yl)-N-[(2S)-2-(4-methylphenoxy)propyl]piperidine-1-carboxamide
CID 95968600
N-[2-(4-ethylphenyl)-2-methylpropyl]-3-(1H-imidazol-2-yl)piperidine-1-carboxamide
CID 136513087

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(1H-imidazol-2-yl)-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]piperidine-1-carboxamide?
The IUPAC name of (3R)-3-(1H-imidazol-2-yl)-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]piperidine-1-carboxamide (CID 126451352) is (3R)-3-(1H-imidazol-2-yl)-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]piperidine-1-carboxamide.
What is the SMILES notation for (3R)-3-(1H-imidazol-2-yl)-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]piperidine-1-carboxamide?
The canonical SMILES for (3R)-3-(1H-imidazol-2-yl)-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]piperidine-1-carboxamide is Cn1nnnc1SCCNC(=O)N1CCC[C@@H](c2ncc[nH]2)C1.
What is the InChIKey of (3R)-3-(1H-imidazol-2-yl)-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]piperidine-1-carboxamide?
The InChIKey is XYIQXSVBGRZRCZ-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H20N8OS/c1-20-13(17-18-19-20)23-8-6-16-12(22)21-7-2-3-10(9-21)11-14-4-5-15-11/h4-5,10H,2-3,6-9H2,1H3,(H,14,15)(H,16,22)/t10-/m1/s1.
What are the key properties of (3R)-3-(1H-imidazol-2-yl)-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]piperidine-1-carboxamide?
(3R)-3-(1H-imidazol-2-yl)-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]piperidine-1-carboxamide has a molecular weight of 336.43 g/mol, XLogP of 0.61, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(1H-imidazol-2-yl)-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]piperidine-1-carboxamide is sourced from PubChem (CID 126451352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).