(3R)-N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-1-(furan-2-ylmethyl)piperidine-3-carboxamide

C16H22N4O2S — CID 97284250

IUPAC(3R)-N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-1-(furan-2-ylmethyl)piperidine-3-carboxamide
SMILESCCc1nnc(CNC(=O)[C@@H]2CCCN(Cc3ccco3)C2)s1
InChIInChI=1S/C16H22N4O2S/c1-2-14-18-19-15(23-14)9-17-16(21)12-5-3-7-20(10-12)11-13-6-4-8-22-13/h4,6,8,12H,2-3,5,7,9-11H2,1H3,(H,17,21)/t12-/m1/s1
InChIKeyHFYRXNWCXLQNND-GFCCVEGCSA-N
MW334.45 g/mol
LogP2.22
Rot. Bonds6

About (3R)-N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-1-(furan-2-ylmethyl)piperidine-3-carboxamide

(3R)-N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-1-(furan-2-ylmethyl)piperidine-3-carboxamide (PubChem CID 97284250) has the molecular formula C16H22N4O2S and a molecular weight of 334.45 g/mol. Its IUPAC name is (3R)-N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-1-(furan-2-ylmethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-1-(furan-2-ylmethyl)piperidine-3-carboxamide
PubChem CID97284250
Molecular FormulaC16H22N4O2S
Molecular Weight334.45 g/mol
Exact Mass334.15
IUPAC Name(3R)-N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-1-(furan-2-ylmethyl)piperidine-3-carboxamide
SMILESCCc1nnc(CNC(=O)[C@@H]2CCCN(Cc3ccco3)C2)s1
InChIInChI=1S/C16H22N4O2S/c1-2-14-18-19-15(23-14)9-17-16(21)12-5-3-7-20(10-12)11-13-6-4-8-22-13/h4,6,8,12H,2-3,5,7,9-11H2,1H3,(H,17,21)/t12-/m1/s1
InChIKeyHFYRXNWCXLQNND-GFCCVEGCSA-N
XLogP2.22
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.45
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3R)-N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-1-(furan-2-ylmethyl)piperidine-3-carboxamide with MolForge

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Related Compounds

(3S)-N-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-1-(furan-2-ylmethyl)piperidine-3-carboxamide
CID 97283477
N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-1-(furan-2-ylmethyl)piperidine-3-carboxamide
CID 72918182
(3R)-N-[(5-chlorothiophen-2-yl)methyl]-1-(furan-2-ylmethyl)piperidine-3-carboxamide
CID 97210781
(3S)-N-[2-(5-chloro-4-methyl-1,3-thiazol-2-yl)ethyl]-1-(furan-2-ylmethyl)piperidine-3-carboxamide
CID 97282796
(3S)-1-(furan-2-ylmethyl)-N-[2-(1,3-thiazol-2-yl)ethyl]piperidine-3-carboxamide
CID 97186745
(3R)-1-(furan-2-ylmethyl)-N-[(1-propylimidazol-2-yl)methyl]piperidine-3-carboxamide
CID 125437302
1-benzyl-N-(furan-2-ylmethyl)piperidine-3-carboxamide
CID 43921227
1-(furan-2-ylmethyl)-N-[2-(methylsulfamoyl)ethyl]piperidine-3-carboxamide
CID 46991870
N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-1-(furan-2-ylmethyl)piperidine-3-carboxamide
CID 56744582
1-(furan-2-ylmethyl)-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]piperidine-3-carboxamide
CID 72899598
(3R)-1-(furan-2-ylmethyl)-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]piperidine-3-carboxamide
CID 97279288
1-(furan-2-ylmethyl)-N-[(3-pyrazol-1-ylphenyl)methyl]piperidine-3-carboxamide
CID 72886430

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-1-(furan-2-ylmethyl)piperidine-3-carboxamide?
The IUPAC name of (3R)-N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-1-(furan-2-ylmethyl)piperidine-3-carboxamide (CID 97284250) is (3R)-N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-1-(furan-2-ylmethyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-1-(furan-2-ylmethyl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-1-(furan-2-ylmethyl)piperidine-3-carboxamide is CCc1nnc(CNC(=O)[C@@H]2CCCN(Cc3ccco3)C2)s1.
What is the InChIKey of (3R)-N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-1-(furan-2-ylmethyl)piperidine-3-carboxamide?
The InChIKey is HFYRXNWCXLQNND-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H22N4O2S/c1-2-14-18-19-15(23-14)9-17-16(21)12-5-3-7-20(10-12)11-13-6-4-8-22-13/h4,6,8,12H,2-3,5,7,9-11H2,1H3,(H,17,21)/t12-/m1/s1.
What are the key properties of (3R)-N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-1-(furan-2-ylmethyl)piperidine-3-carboxamide?
(3R)-N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-1-(furan-2-ylmethyl)piperidine-3-carboxamide has a molecular weight of 334.45 g/mol, XLogP of 2.22, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-1-(furan-2-ylmethyl)piperidine-3-carboxamide is sourced from PubChem (CID 97284250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).