4-(imidazol-1-ylmethyl)-N-(thiophen-2-ylmethyl)piperidine-1-carboxamide

C15H20N4OS — CID 71781093

IUPAC4-(imidazol-1-ylmethyl)-N-(thiophen-2-ylmethyl)piperidine-1-carboxamide
SMILESO=C(NCc1cccs1)N1CCC(Cn2ccnc2)CC1
InChIInChI=1S/C15H20N4OS/c20-15(17-10-14-2-1-9-21-14)19-6-3-13(4-7-19)11-18-8-5-16-12-18/h1-2,5,8-9,12-13H,3-4,6-7,10-11H2,(H,17,20)
InChIKeyWNZYRZZZHSXFJP-UHFFFAOYSA-N
MW304.42 g/mol
LogP2.57
Rot. Bonds4

About 4-(imidazol-1-ylmethyl)-N-(thiophen-2-ylmethyl)piperidine-1-carboxamide

4-(imidazol-1-ylmethyl)-N-(thiophen-2-ylmethyl)piperidine-1-carboxamide (PubChem CID 71781093) has the molecular formula C15H20N4OS and a molecular weight of 304.42 g/mol. Its IUPAC name is 4-(imidazol-1-ylmethyl)-N-(thiophen-2-ylmethyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(imidazol-1-ylmethyl)-N-(thiophen-2-ylmethyl)piperidine-1-carboxamide
PubChem CID71781093
Molecular FormulaC15H20N4OS
Molecular Weight304.42 g/mol
Exact Mass304.14
IUPAC Name4-(imidazol-1-ylmethyl)-N-(thiophen-2-ylmethyl)piperidine-1-carboxamide
SMILESO=C(NCc1cccs1)N1CCC(Cn2ccnc2)CC1
InChIInChI=1S/C15H20N4OS/c20-15(17-10-14-2-1-9-21-14)19-6-3-13(4-7-19)11-18-8-5-16-12-18/h1-2,5,8-9,12-13H,3-4,6-7,10-11H2,(H,17,20)
InChIKeyWNZYRZZZHSXFJP-UHFFFAOYSA-N
XLogP2.57
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(imidazol-1-ylmethyl)-N-(thiophen-2-ylmethyl)piperidine-1-carboxamide?
The IUPAC name of 4-(imidazol-1-ylmethyl)-N-(thiophen-2-ylmethyl)piperidine-1-carboxamide (CID 71781093) is 4-(imidazol-1-ylmethyl)-N-(thiophen-2-ylmethyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-(imidazol-1-ylmethyl)-N-(thiophen-2-ylmethyl)piperidine-1-carboxamide?
The canonical SMILES for 4-(imidazol-1-ylmethyl)-N-(thiophen-2-ylmethyl)piperidine-1-carboxamide is O=C(NCc1cccs1)N1CCC(Cn2ccnc2)CC1.
What is the InChIKey of 4-(imidazol-1-ylmethyl)-N-(thiophen-2-ylmethyl)piperidine-1-carboxamide?
The InChIKey is WNZYRZZZHSXFJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4OS/c20-15(17-10-14-2-1-9-21-14)19-6-3-13(4-7-19)11-18-8-5-16-12-18/h1-2,5,8-9,12-13H,3-4,6-7,10-11H2,(H,17,20).
What are the key properties of 4-(imidazol-1-ylmethyl)-N-(thiophen-2-ylmethyl)piperidine-1-carboxamide?
4-(imidazol-1-ylmethyl)-N-(thiophen-2-ylmethyl)piperidine-1-carboxamide has a molecular weight of 304.42 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(imidazol-1-ylmethyl)-N-(thiophen-2-ylmethyl)piperidine-1-carboxamide is sourced from PubChem (CID 71781093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).