(3S)-N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide

C20H28N2O2S — CID 129376970

IUPAC(3S)-N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
SMILESC[C@H](NC(=O)[C@H]1CCCN(C(=O)c2cccs2)C1)[C@@H]1C[C@H]2CC[C@H]1C2
InChIInChI=1S/C20H28N2O2S/c1-13(17-11-14-6-7-15(17)10-14)21-19(23)16-4-2-8-22(12-16)20(24)18-5-3-9-25-18/h3,5,9,13-17H,2,4,6-8,10-12H2,1H3,(H,21,23)/t13-,14-,15-,16-,17-/m0/s1
InChIKeyNOSLJEHASHQEEW-WOYTXXSLSA-N
MW360.52 g/mol
LogP3.54
Rot. Bonds4

About (3S)-N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide

(3S)-N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide (PubChem CID 129376970) has the molecular formula C20H28N2O2S and a molecular weight of 360.52 g/mol. Its IUPAC name is (3S)-N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
PubChem CID129376970
Molecular FormulaC20H28N2O2S
Molecular Weight360.52 g/mol
Exact Mass360.19
IUPAC Name(3S)-N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
SMILESC[C@H](NC(=O)[C@H]1CCCN(C(=O)c2cccs2)C1)[C@@H]1C[C@H]2CC[C@H]1C2
InChIInChI=1S/C20H28N2O2S/c1-13(17-11-14-6-7-15(17)10-14)21-19(23)16-4-2-8-22(12-16)20(24)18-5-3-9-25-18/h3,5,9,13-17H,2,4,6-8,10-12H2,1H3,(H,21,23)/t13-,14-,15-,16-,17-/m0/s1
InChIKeyNOSLJEHASHQEEW-WOYTXXSLSA-N
XLogP3.54
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.52
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3S)-N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide with MolForge

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Related Compounds

N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 98496024
(3S)-N-[(2R)-4-methylpentan-2-yl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 97013445
N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]thiophene-2-carboxamide
CID 129376616
N-(dicyclopropylmethyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 43057486
N-[1-(4-bromophenyl)ethyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 42885431
N-(1-hydroxybutan-2-yl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 110886255
N-(2,2-dimethyl-1-phenylpropyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 55643259
N-[2-(propan-2-ylcarbamoyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 55672694
N-[1-(4-cyanophenyl)ethyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 134035121
N-(4-propan-2-ylphenyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 42946825
(3S)-N-propyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 39977852
(3R)-1-(thiophene-2-carbonyl)piperidine-3-carboxylic acid
CID 858666

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide?
The IUPAC name of (3S)-N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide (CID 129376970) is (3S)-N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide is C[C@H](NC(=O)[C@H]1CCCN(C(=O)c2cccs2)C1)[C@@H]1C[C@H]2CC[C@H]1C2.
What is the InChIKey of (3S)-N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide?
The InChIKey is NOSLJEHASHQEEW-WOYTXXSLSA-N. The full InChI is InChI=1S/C20H28N2O2S/c1-13(17-11-14-6-7-15(17)10-14)21-19(23)16-4-2-8-22(12-16)20(24)18-5-3-9-25-18/h3,5,9,13-17H,2,4,6-8,10-12H2,1H3,(H,21,23)/t13-,14-,15-,16-,17-/m0/s1.
What are the key properties of (3S)-N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide?
(3S)-N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide has a molecular weight of 360.52 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 129376970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).