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

C18H28N6OS — CID 45221934

IUPAC3-[[4-(3-aminopentan-3-yl)triazol-1-yl]methyl]-N-thiophen-3-ylpiperidine-1-carboxamide
SMILESCCC(N)(CC)c1cn(CC2CCCN(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)
InChIKeyKQCDWKHLEZHLKY-UHFFFAOYSA-N
MW376.53 g/mol
LogP3.26
Rot. Bonds6

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

3-[[4-(3-aminopentan-3-yl)triazol-1-yl]methyl]-N-thiophen-3-ylpiperidine-1-carboxamide (PubChem CID 45221934) has the molecular formula C18H28N6OS and a molecular weight of 376.53 g/mol. Its IUPAC name is 3-[[4-(3-aminopentan-3-yl)triazol-1-yl]methyl]-N-thiophen-3-ylpiperidine-1-carboxamide.

Molecular Properties

Compound Name3-[[4-(3-aminopentan-3-yl)triazol-1-yl]methyl]-N-thiophen-3-ylpiperidine-1-carboxamide
PubChem CID45221934
Molecular FormulaC18H28N6OS
Molecular Weight376.53 g/mol
Exact Mass376.20
IUPAC Name3-[[4-(3-aminopentan-3-yl)triazol-1-yl]methyl]-N-thiophen-3-ylpiperidine-1-carboxamide
SMILESCCC(N)(CC)c1cn(CC2CCCN(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)
InChIKeyKQCDWKHLEZHLKY-UHFFFAOYSA-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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Related Compounds

3-[[4-(3-aminopentan-3-yl)triazol-1-yl]methyl]-N-thiophen-3-ylpiperidine-1-carboxamide;2,2,2-trifluoroacetic acid
CID 154888370
4-{[4-(methoxymethyl)-1H-1,2,3-triazol-1-yl]methyl}-N-3-thienyl-1-piperidinecarboxamide
CID 31126037
4-[(4-cyclopropyltriazol-1-yl)methyl]-N-thiophen-2-ylpiperidine-1-carboxamide
CID 31259100
3-{[4-(2-hydroxyethyl)-1H-1,2,3-triazol-1-yl]methyl}-N-3-thienyl-1-piperidinecarboxamide
CID 45197790
N-[(1-{[1-(3-thienylmethyl)-4-piperidinyl]methyl}-1H-1,2,3-triazol-4-yl)methyl]urea
CID 29087479
(3R)-3-[[4-(2-hydroxyethyl)triazol-1-yl]methyl]-N-thiophen-3-ylpiperidine-1-carboxamide
CID 30937224
(3S)-3-[[4-(2-hydroxyethyl)triazol-1-yl]methyl]-N-thiophen-3-ylpiperidine-1-carboxamide
CID 30937227
4-[(4-cyclopentyltriazol-1-yl)methyl]-N-thiophen-2-ylpiperidine-1-carboxamide
CID 31044926
4-(4-cyclohexyl-1H-1,2,3-triazol-1-yl)-N-3-thienyl-1-piperidinecarboxamide
CID 31054564
(3R)-3-[[4-(3-aminopentan-3-yl)triazol-1-yl]methyl]-N-thiophen-3-ylpiperidine-1-carboxamide
CID 31074162
(3S)-3-[[4-(3-aminopentan-3-yl)triazol-1-yl]methyl]-N-thiophen-3-ylpiperidine-1-carboxamide
CID 31074166
(3R)-3-[(4-cyclopentyltriazol-1-yl)methyl]-N-thiophen-3-ylpiperidine-1-carboxamide
CID 31224663

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(3-aminopentan-3-yl)triazol-1-yl]methyl]-N-thiophen-3-ylpiperidine-1-carboxamide?
The IUPAC name of 3-[[4-(3-aminopentan-3-yl)triazol-1-yl]methyl]-N-thiophen-3-ylpiperidine-1-carboxamide (CID 45221934) is 3-[[4-(3-aminopentan-3-yl)triazol-1-yl]methyl]-N-thiophen-3-ylpiperidine-1-carboxamide.
What is the SMILES notation for 3-[[4-(3-aminopentan-3-yl)triazol-1-yl]methyl]-N-thiophen-3-ylpiperidine-1-carboxamide?
The canonical SMILES for 3-[[4-(3-aminopentan-3-yl)triazol-1-yl]methyl]-N-thiophen-3-ylpiperidine-1-carboxamide is CCC(N)(CC)c1cn(CC2CCCN(C(=O)Nc3ccsc3)C2)nn1.
What is the InChIKey of 3-[[4-(3-aminopentan-3-yl)triazol-1-yl]methyl]-N-thiophen-3-ylpiperidine-1-carboxamide?
The InChIKey is KQCDWKHLEZHLKY-UHFFFAOYSA-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).
What are the key properties of 3-[[4-(3-aminopentan-3-yl)triazol-1-yl]methyl]-N-thiophen-3-ylpiperidine-1-carboxamide?
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 3-[[4-(3-aminopentan-3-yl)triazol-1-yl]methyl]-N-thiophen-3-ylpiperidine-1-carboxamide is sourced from PubChem (CID 45221934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).