(3R)-N-[(5-chlorothiophen-2-yl)methyl]-1-(furan-2-ylmethyl)piperidine-3-carboxamide

C16H19ClN2O2S — CID 97210781

IUPAC(3R)-N-[(5-chlorothiophen-2-yl)methyl]-1-(furan-2-ylmethyl)piperidine-3-carboxamide
SMILESO=C(NCc1ccc(Cl)s1)[C@@H]1CCCN(Cc2ccco2)C1
InChIInChI=1S/C16H19ClN2O2S/c17-15-6-5-14(22-15)9-18-16(20)12-3-1-7-19(10-12)11-13-4-2-8-21-13/h2,4-6,8,12H,1,3,7,9-11H2,(H,18,20)/t12-/m1/s1
InChIKeyMDSDRIYQXYQZGW-GFCCVEGCSA-N
MW338.86 g/mol
LogP3.52
Rot. Bonds5

About (3R)-N-[(5-chlorothiophen-2-yl)methyl]-1-(furan-2-ylmethyl)piperidine-3-carboxamide

(3R)-N-[(5-chlorothiophen-2-yl)methyl]-1-(furan-2-ylmethyl)piperidine-3-carboxamide (PubChem CID 97210781) has the molecular formula C16H19ClN2O2S and a molecular weight of 338.86 g/mol. Its IUPAC name is (3R)-N-[(5-chlorothiophen-2-yl)methyl]-1-(furan-2-ylmethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(5-chlorothiophen-2-yl)methyl]-1-(furan-2-ylmethyl)piperidine-3-carboxamide
PubChem CID97210781
Molecular FormulaC16H19ClN2O2S
Molecular Weight338.86 g/mol
Exact Mass338.09
IUPAC Name(3R)-N-[(5-chlorothiophen-2-yl)methyl]-1-(furan-2-ylmethyl)piperidine-3-carboxamide
SMILESO=C(NCc1ccc(Cl)s1)[C@@H]1CCCN(Cc2ccco2)C1
InChIInChI=1S/C16H19ClN2O2S/c17-15-6-5-14(22-15)9-18-16(20)12-3-1-7-19(10-12)11-13-4-2-8-21-13/h2,4-6,8,12H,1,3,7,9-11H2,(H,18,20)/t12-/m1/s1
InChIKeyMDSDRIYQXYQZGW-GFCCVEGCSA-N
XLogP3.52
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.86
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

1-benzyl-N-(furan-2-ylmethyl)piperidine-3-carboxamide
CID 43921227
(3R)-N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-1-(furan-2-ylmethyl)piperidine-3-carboxamide
CID 97284250
(3S)-N-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-1-(furan-2-ylmethyl)piperidine-3-carboxamide
CID 97283477
(3S)-N-[2-(5-chloro-4-methyl-1,3-thiazol-2-yl)ethyl]-1-(furan-2-ylmethyl)piperidine-3-carboxamide
CID 97282796
1-(furan-2-ylmethyl)-N-[2-(methylsulfamoyl)ethyl]piperidine-3-carboxamide
CID 46991870
(3S)-1-(furan-2-ylmethyl)-N-[2-(1,3-thiazol-2-yl)ethyl]piperidine-3-carboxamide
CID 97186745
N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-1-(furan-2-ylmethyl)piperidine-3-carboxamide
CID 72918182
N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-1-(furan-2-ylmethyl)piperidine-3-carboxamide
CID 56744582
(3S)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-1-(furan-2-ylmethyl)piperidine-3-carboxamide
CID 97269175
(3R)-1-(furan-2-ylmethyl)-N-[(1-propylimidazol-2-yl)methyl]piperidine-3-carboxamide
CID 125437302
(3S)-1-(furan-2-ylmethyl)-N-[2-(2-oxoimidazolidin-1-yl)ethyl]piperidine-3-carboxamide
CID 97192941
(3S)-1-[1-(furan-2-ylmethyl)piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 25289818

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(5-chlorothiophen-2-yl)methyl]-1-(furan-2-ylmethyl)piperidine-3-carboxamide?
The IUPAC name of (3R)-N-[(5-chlorothiophen-2-yl)methyl]-1-(furan-2-ylmethyl)piperidine-3-carboxamide (CID 97210781) is (3R)-N-[(5-chlorothiophen-2-yl)methyl]-1-(furan-2-ylmethyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[(5-chlorothiophen-2-yl)methyl]-1-(furan-2-ylmethyl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-[(5-chlorothiophen-2-yl)methyl]-1-(furan-2-ylmethyl)piperidine-3-carboxamide is O=C(NCc1ccc(Cl)s1)[C@@H]1CCCN(Cc2ccco2)C1.
What is the InChIKey of (3R)-N-[(5-chlorothiophen-2-yl)methyl]-1-(furan-2-ylmethyl)piperidine-3-carboxamide?
The InChIKey is MDSDRIYQXYQZGW-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H19ClN2O2S/c17-15-6-5-14(22-15)9-18-16(20)12-3-1-7-19(10-12)11-13-4-2-8-21-13/h2,4-6,8,12H,1,3,7,9-11H2,(H,18,20)/t12-/m1/s1.
What are the key properties of (3R)-N-[(5-chlorothiophen-2-yl)methyl]-1-(furan-2-ylmethyl)piperidine-3-carboxamide?
(3R)-N-[(5-chlorothiophen-2-yl)methyl]-1-(furan-2-ylmethyl)piperidine-3-carboxamide has a molecular weight of 338.86 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(5-chlorothiophen-2-yl)methyl]-1-(furan-2-ylmethyl)piperidine-3-carboxamide is sourced from PubChem (CID 97210781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).