4-(4-cyclohexyltriazol-1-yl)-N-thiophen-3-ylpiperidine-1-carboxamide

C18H25N5OS — CID 31054564

IUPAC4-(4-cyclohexyltriazol-1-yl)-N-thiophen-3-ylpiperidine-1-carboxamide
SMILESO=C(Nc1ccsc1)N1CCC(n2cc(C3CCCCC3)nn2)CC1
InChIInChI=1S/C18H25N5OS/c24-18(19-15-8-11-25-13-15)22-9-6-16(7-10-22)23-12-17(20-21-23)14-4-2-1-3-5-14/h8,11-14,16H,1-7,9-10H2,(H,19,24)
InChIKeyPWSQRXCIRGOZFI-UHFFFAOYSA-N
MW359.50 g/mol
LogP4.26
Rot. Bonds3

About 4-(4-cyclohexyltriazol-1-yl)-N-thiophen-3-ylpiperidine-1-carboxamide

4-(4-cyclohexyltriazol-1-yl)-N-thiophen-3-ylpiperidine-1-carboxamide (PubChem CID 31054564) has the molecular formula C18H25N5OS and a molecular weight of 359.50 g/mol. Its IUPAC name is 4-(4-cyclohexyltriazol-1-yl)-N-thiophen-3-ylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-(4-cyclohexyltriazol-1-yl)-N-thiophen-3-ylpiperidine-1-carboxamide
PubChem CID31054564
Molecular FormulaC18H25N5OS
Molecular Weight359.50 g/mol
Exact Mass359.18
IUPAC Name4-(4-cyclohexyltriazol-1-yl)-N-thiophen-3-ylpiperidine-1-carboxamide
SMILESO=C(Nc1ccsc1)N1CCC(n2cc(C3CCCCC3)nn2)CC1
InChIInChI=1S/C18H25N5OS/c24-18(19-15-8-11-25-13-15)22-9-6-16(7-10-22)23-12-17(20-21-23)14-4-2-1-3-5-14/h8,11-14,16H,1-7,9-10H2,(H,19,24)
InChIKeyPWSQRXCIRGOZFI-UHFFFAOYSA-N
XLogP4.26
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.50
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-cyclohexyltriazol-1-yl)-N-thiophen-3-ylpiperidine-1-carboxamide?
The IUPAC name of 4-(4-cyclohexyltriazol-1-yl)-N-thiophen-3-ylpiperidine-1-carboxamide (CID 31054564) is 4-(4-cyclohexyltriazol-1-yl)-N-thiophen-3-ylpiperidine-1-carboxamide.
What is the SMILES notation for 4-(4-cyclohexyltriazol-1-yl)-N-thiophen-3-ylpiperidine-1-carboxamide?
The canonical SMILES for 4-(4-cyclohexyltriazol-1-yl)-N-thiophen-3-ylpiperidine-1-carboxamide is O=C(Nc1ccsc1)N1CCC(n2cc(C3CCCCC3)nn2)CC1.
What is the InChIKey of 4-(4-cyclohexyltriazol-1-yl)-N-thiophen-3-ylpiperidine-1-carboxamide?
The InChIKey is PWSQRXCIRGOZFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5OS/c24-18(19-15-8-11-25-13-15)22-9-6-16(7-10-22)23-12-17(20-21-23)14-4-2-1-3-5-14/h8,11-14,16H,1-7,9-10H2,(H,19,24).
What are the key properties of 4-(4-cyclohexyltriazol-1-yl)-N-thiophen-3-ylpiperidine-1-carboxamide?
4-(4-cyclohexyltriazol-1-yl)-N-thiophen-3-ylpiperidine-1-carboxamide has a molecular weight of 359.50 g/mol, XLogP of 4.26, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyclohexyltriazol-1-yl)-N-thiophen-3-ylpiperidine-1-carboxamide is sourced from PubChem (CID 31054564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).