(3R)-3-[[4-(3-aminopentan-3-yl)triazol-1-yl]methyl]-N-thiophen-3-ylpiperidine-1-carboxamide

C18H28N6OS — CID 31074162

IUPAC(3R)-3-[[4-(3-aminopentan-3-yl)triazol-1-yl]methyl]-N-thiophen-3-ylpiperidine-1-carboxamide
SMILESCCC(N)(CC)c1cn(C[C@@H]2CCCN(C(=O)Nc3ccsc3)C2)nn1
InChIInChI=1S/C18H28N6OS/c1-3-18(19,4-2)16-12-24(22-21-16)11-14-6-5-8-23(10-14)17(25)20-15-7-9-26-13-15/h7,9,12-14H,3-6,8,10-11,19H2,1-2H3,(H,20,25)/t14-/m1/s1
InChIKeyKQCDWKHLEZHLKY-CQSZACIVSA-N
MW376.53 g/mol
LogP3.26
Rot. Bonds6

About (3R)-3-[[4-(3-aminopentan-3-yl)triazol-1-yl]methyl]-N-thiophen-3-ylpiperidine-1-carboxamide

(3R)-3-[[4-(3-aminopentan-3-yl)triazol-1-yl]methyl]-N-thiophen-3-ylpiperidine-1-carboxamide (PubChem CID 31074162) has the molecular formula C18H28N6OS and a molecular weight of 376.53 g/mol. Its IUPAC name is (3R)-3-[[4-(3-aminopentan-3-yl)triazol-1-yl]methyl]-N-thiophen-3-ylpiperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-3-[[4-(3-aminopentan-3-yl)triazol-1-yl]methyl]-N-thiophen-3-ylpiperidine-1-carboxamide
PubChem CID31074162
Molecular FormulaC18H28N6OS
Molecular Weight376.53 g/mol
Exact Mass376.20
IUPAC Name(3R)-3-[[4-(3-aminopentan-3-yl)triazol-1-yl]methyl]-N-thiophen-3-ylpiperidine-1-carboxamide
SMILESCCC(N)(CC)c1cn(C[C@@H]2CCCN(C(=O)Nc3ccsc3)C2)nn1
InChIInChI=1S/C18H28N6OS/c1-3-18(19,4-2)16-12-24(22-21-16)11-14-6-5-8-23(10-14)17(25)20-15-7-9-26-13-15/h7,9,12-14H,3-6,8,10-11,19H2,1-2H3,(H,20,25)/t14-/m1/s1
InChIKeyKQCDWKHLEZHLKY-CQSZACIVSA-N
XLogP3.26
TPSA89.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.53
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-[[4-(3-aminopentan-3-yl)triazol-1-yl]methyl]-N-thiophen-3-ylpiperidine-1-carboxamide?
The IUPAC name of (3R)-3-[[4-(3-aminopentan-3-yl)triazol-1-yl]methyl]-N-thiophen-3-ylpiperidine-1-carboxamide (CID 31074162) is (3R)-3-[[4-(3-aminopentan-3-yl)triazol-1-yl]methyl]-N-thiophen-3-ylpiperidine-1-carboxamide.
What is the SMILES notation for (3R)-3-[[4-(3-aminopentan-3-yl)triazol-1-yl]methyl]-N-thiophen-3-ylpiperidine-1-carboxamide?
The canonical SMILES for (3R)-3-[[4-(3-aminopentan-3-yl)triazol-1-yl]methyl]-N-thiophen-3-ylpiperidine-1-carboxamide is CCC(N)(CC)c1cn(C[C@@H]2CCCN(C(=O)Nc3ccsc3)C2)nn1.
What is the InChIKey of (3R)-3-[[4-(3-aminopentan-3-yl)triazol-1-yl]methyl]-N-thiophen-3-ylpiperidine-1-carboxamide?
The InChIKey is KQCDWKHLEZHLKY-CQSZACIVSA-N. The full InChI is InChI=1S/C18H28N6OS/c1-3-18(19,4-2)16-12-24(22-21-16)11-14-6-5-8-23(10-14)17(25)20-15-7-9-26-13-15/h7,9,12-14H,3-6,8,10-11,19H2,1-2H3,(H,20,25)/t14-/m1/s1.
What are the key properties of (3R)-3-[[4-(3-aminopentan-3-yl)triazol-1-yl]methyl]-N-thiophen-3-ylpiperidine-1-carboxamide?
(3R)-3-[[4-(3-aminopentan-3-yl)triazol-1-yl]methyl]-N-thiophen-3-ylpiperidine-1-carboxamide has a molecular weight of 376.53 g/mol, XLogP of 3.26, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[[4-(3-aminopentan-3-yl)triazol-1-yl]methyl]-N-thiophen-3-ylpiperidine-1-carboxamide is sourced from PubChem (CID 31074162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).