(3S)-3-[(4-cyclopentyltriazol-1-yl)methyl]-N-thiophen-3-ylpiperidine-1-carboxamide

C18H25N5OS — CID 31224665

IUPAC(3S)-3-[(4-cyclopentyltriazol-1-yl)methyl]-N-thiophen-3-ylpiperidine-1-carboxamide
SMILESO=C(Nc1ccsc1)N1CCC[C@H](Cn2cc(C3CCCC3)nn2)C1
InChIInChI=1S/C18H25N5OS/c24-18(19-16-7-9-25-13-16)22-8-3-4-14(10-22)11-23-12-17(20-21-23)15-5-1-2-6-15/h7,9,12-15H,1-6,8,10-11H2,(H,19,24)/t14-/m0/s1
InChIKeyMJTRWLGAARBWFF-AWEZNQCLSA-N
MW359.50 g/mol
LogP3.94
Rot. Bonds4

About (3S)-3-[(4-cyclopentyltriazol-1-yl)methyl]-N-thiophen-3-ylpiperidine-1-carboxamide

(3S)-3-[(4-cyclopentyltriazol-1-yl)methyl]-N-thiophen-3-ylpiperidine-1-carboxamide (PubChem CID 31224665) has the molecular formula C18H25N5OS and a molecular weight of 359.50 g/mol. Its IUPAC name is (3S)-3-[(4-cyclopentyltriazol-1-yl)methyl]-N-thiophen-3-ylpiperidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-3-[(4-cyclopentyltriazol-1-yl)methyl]-N-thiophen-3-ylpiperidine-1-carboxamide
PubChem CID31224665
Molecular FormulaC18H25N5OS
Molecular Weight359.50 g/mol
Exact Mass359.18
IUPAC Name(3S)-3-[(4-cyclopentyltriazol-1-yl)methyl]-N-thiophen-3-ylpiperidine-1-carboxamide
SMILESO=C(Nc1ccsc1)N1CCC[C@H](Cn2cc(C3CCCC3)nn2)C1
InChIInChI=1S/C18H25N5OS/c24-18(19-16-7-9-25-13-16)22-8-3-4-14(10-22)11-23-12-17(20-21-23)15-5-1-2-6-15/h7,9,12-15H,1-6,8,10-11H2,(H,19,24)/t14-/m0/s1
InChIKeyMJTRWLGAARBWFF-AWEZNQCLSA-N
XLogP3.94
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.50
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-[(4-cyclopentyltriazol-1-yl)methyl]-N-thiophen-3-ylpiperidine-1-carboxamide?
The IUPAC name of (3S)-3-[(4-cyclopentyltriazol-1-yl)methyl]-N-thiophen-3-ylpiperidine-1-carboxamide (CID 31224665) is (3S)-3-[(4-cyclopentyltriazol-1-yl)methyl]-N-thiophen-3-ylpiperidine-1-carboxamide.
What is the SMILES notation for (3S)-3-[(4-cyclopentyltriazol-1-yl)methyl]-N-thiophen-3-ylpiperidine-1-carboxamide?
The canonical SMILES for (3S)-3-[(4-cyclopentyltriazol-1-yl)methyl]-N-thiophen-3-ylpiperidine-1-carboxamide is O=C(Nc1ccsc1)N1CCC[C@H](Cn2cc(C3CCCC3)nn2)C1.
What is the InChIKey of (3S)-3-[(4-cyclopentyltriazol-1-yl)methyl]-N-thiophen-3-ylpiperidine-1-carboxamide?
The InChIKey is MJTRWLGAARBWFF-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H25N5OS/c24-18(19-16-7-9-25-13-16)22-8-3-4-14(10-22)11-23-12-17(20-21-23)15-5-1-2-6-15/h7,9,12-15H,1-6,8,10-11H2,(H,19,24)/t14-/m0/s1.
What are the key properties of (3S)-3-[(4-cyclopentyltriazol-1-yl)methyl]-N-thiophen-3-ylpiperidine-1-carboxamide?
(3S)-3-[(4-cyclopentyltriazol-1-yl)methyl]-N-thiophen-3-ylpiperidine-1-carboxamide has a molecular weight of 359.50 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[(4-cyclopentyltriazol-1-yl)methyl]-N-thiophen-3-ylpiperidine-1-carboxamide is sourced from PubChem (CID 31224665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).