3-(2-ethylimidazol-1-yl)-N-(thiolan-3-ylmethyl)piperidine-1-carboxamide

C16H26N4OS — CID 122130985

IUPAC3-(2-ethylimidazol-1-yl)-N-(thiolan-3-ylmethyl)piperidine-1-carboxamide
SMILESCCc1nccn1C1CCCN(C(=O)NCC2CCSC2)C1
InChIInChI=1S/C16H26N4OS/c1-2-15-17-6-8-20(15)14-4-3-7-19(11-14)16(21)18-10-13-5-9-22-12-13/h6,8,13-14H,2-5,7,9-12H2,1H3,(H,18,21)
InChIKeySHMOZLBRMSPEBF-UHFFFAOYSA-N
MW322.48 g/mol
LogP2.55
Rot. Bonds4

About 3-(2-ethylimidazol-1-yl)-N-(thiolan-3-ylmethyl)piperidine-1-carboxamide

3-(2-ethylimidazol-1-yl)-N-(thiolan-3-ylmethyl)piperidine-1-carboxamide (PubChem CID 122130985) has the molecular formula C16H26N4OS and a molecular weight of 322.48 g/mol. Its IUPAC name is 3-(2-ethylimidazol-1-yl)-N-(thiolan-3-ylmethyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name3-(2-ethylimidazol-1-yl)-N-(thiolan-3-ylmethyl)piperidine-1-carboxamide
PubChem CID122130985
Molecular FormulaC16H26N4OS
Molecular Weight322.48 g/mol
Exact Mass322.18
IUPAC Name3-(2-ethylimidazol-1-yl)-N-(thiolan-3-ylmethyl)piperidine-1-carboxamide
SMILESCCc1nccn1C1CCCN(C(=O)NCC2CCSC2)C1
InChIInChI=1S/C16H26N4OS/c1-2-15-17-6-8-20(15)14-4-3-7-19(11-14)16(21)18-10-13-5-9-22-12-13/h6,8,13-14H,2-5,7,9-12H2,1H3,(H,18,21)
InChIKeySHMOZLBRMSPEBF-UHFFFAOYSA-N
XLogP2.55
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.48
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-N-(thiolan-3-ylmethyl)piperidine-1-carboxamide
CID 107295549
2-amino-1-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]ethanone;dihydrochloride
CID 119881391
1-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-2-(methylamino)ethanone;hydrochloride
CID 120704387
(1-aminocyclopropyl)-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]methanone
CID 119881342
N-(2,2-dimethyloxolan-3-yl)-3-(2-ethylimidazol-1-yl)piperidine-1-carboxamide
CID 128686368
1-[(3R)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]-2-ethylsulfonylethanone
CID 95343440
(3-aminocyclopentyl)-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]methanone
CID 119881362
[(3S)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 95341014
(2S)-2-amino-1-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]butan-1-one;dihydrochloride
CID 119881387
3-amino-1-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-2-methylbutan-1-one;dihydrochloride
CID 120503836
1-[(2S)-2-[(3S)-3-(2-ethylimidazol-1-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]ethanone
CID 95606561
[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone
CID 122081545

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylimidazol-1-yl)-N-(thiolan-3-ylmethyl)piperidine-1-carboxamide?
The IUPAC name of 3-(2-ethylimidazol-1-yl)-N-(thiolan-3-ylmethyl)piperidine-1-carboxamide (CID 122130985) is 3-(2-ethylimidazol-1-yl)-N-(thiolan-3-ylmethyl)piperidine-1-carboxamide.
What is the SMILES notation for 3-(2-ethylimidazol-1-yl)-N-(thiolan-3-ylmethyl)piperidine-1-carboxamide?
The canonical SMILES for 3-(2-ethylimidazol-1-yl)-N-(thiolan-3-ylmethyl)piperidine-1-carboxamide is CCc1nccn1C1CCCN(C(=O)NCC2CCSC2)C1.
What is the InChIKey of 3-(2-ethylimidazol-1-yl)-N-(thiolan-3-ylmethyl)piperidine-1-carboxamide?
The InChIKey is SHMOZLBRMSPEBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4OS/c1-2-15-17-6-8-20(15)14-4-3-7-19(11-14)16(21)18-10-13-5-9-22-12-13/h6,8,13-14H,2-5,7,9-12H2,1H3,(H,18,21).
What are the key properties of 3-(2-ethylimidazol-1-yl)-N-(thiolan-3-ylmethyl)piperidine-1-carboxamide?
3-(2-ethylimidazol-1-yl)-N-(thiolan-3-ylmethyl)piperidine-1-carboxamide has a molecular weight of 322.48 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylimidazol-1-yl)-N-(thiolan-3-ylmethyl)piperidine-1-carboxamide is sourced from PubChem (CID 122130985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).