(2R)-2-[[(3R,4S)-1-acetyl-3-ethylpiperidin-4-yl]amino]-N-(thiophen-2-ylmethyl)propanamide

C17H27N3O2S — CID 98791446

IUPAC(2R)-2-[[(3R,4S)-1-acetyl-3-ethylpiperidin-4-yl]amino]-N-(thiophen-2-ylmethyl)propanamide
SMILESCC[C@@H]1CN(C(C)=O)CC[C@@H]1N[C@H](C)C(=O)NCc1cccs1
InChIInChI=1S/C17H27N3O2S/c1-4-14-11-20(13(3)21)8-7-16(14)19-12(2)17(22)18-10-15-6-5-9-23-15/h5-6,9,12,14,16,19H,4,7-8,10-11H2,1-3H3,(H,18,22)/t12-,14-,16+/m1/s1
InChIKeyJCUWUGGNVBZLSA-XPKDYRNWSA-N
MW337.49 g/mol
LogP1.99
Rot. Bonds6

About (2R)-2-[[(3R,4S)-1-acetyl-3-ethylpiperidin-4-yl]amino]-N-(thiophen-2-ylmethyl)propanamide

(2R)-2-[[(3R,4S)-1-acetyl-3-ethylpiperidin-4-yl]amino]-N-(thiophen-2-ylmethyl)propanamide (PubChem CID 98791446) has the molecular formula C17H27N3O2S and a molecular weight of 337.49 g/mol. Its IUPAC name is (2R)-2-[[(3R,4S)-1-acetyl-3-ethylpiperidin-4-yl]amino]-N-(thiophen-2-ylmethyl)propanamide.

Molecular Properties

Compound Name(2R)-2-[[(3R,4S)-1-acetyl-3-ethylpiperidin-4-yl]amino]-N-(thiophen-2-ylmethyl)propanamide
PubChem CID98791446
Molecular FormulaC17H27N3O2S
Molecular Weight337.49 g/mol
Exact Mass337.18
IUPAC Name(2R)-2-[[(3R,4S)-1-acetyl-3-ethylpiperidin-4-yl]amino]-N-(thiophen-2-ylmethyl)propanamide
SMILESCC[C@@H]1CN(C(C)=O)CC[C@@H]1N[C@H](C)C(=O)NCc1cccs1
InChIInChI=1S/C17H27N3O2S/c1-4-14-11-20(13(3)21)8-7-16(14)19-12(2)17(22)18-10-15-6-5-9-23-15/h5-6,9,12,14,16,19H,4,7-8,10-11H2,1-3H3,(H,18,22)/t12-,14-,16+/m1/s1
InChIKeyJCUWUGGNVBZLSA-XPKDYRNWSA-N
XLogP1.99
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.49
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(4-methylpiperidin-1-yl)-N-(thiophen-2-ylmethyl)propanamide
CID 9444129
(2S)-2-(4-hydroxypiperidin-1-yl)-N-(thiophen-2-ylmethyl)propanamide
CID 27070191
2-[(3S,4S)-1-benzoyl-3-ethylpiperidin-4-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 163162329
2-[3-(hydroxymethyl)pyrrolidin-1-yl]-N-(thiophen-2-ylmethyl)propanamide
CID 111543644
(2R)-2-[[(3R)-2,2,5,5-tetramethyloxolan-3-yl]amino]-N-(thiophen-2-ylmethyl)propanamide
CID 99632804
2-(3-ethyl-1-hexanoylpiperidin-4-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 78524240
1-[(3R,4S)-4-[(5-bromothiophen-2-yl)methylamino]-3-ethylpiperidin-1-yl]ethanone
CID 97097451
2-[(3R,4S)-3-ethyl-1-(4-fluorobenzoyl)piperidin-4-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 11912525
(2S)-2-[[1-(2-hydroxyethyl)piperidin-4-yl]methylamino]-N-(thiophen-2-ylmethyl)propanamide
CID 95606770
1-[(3R,4R)-3-ethyl-4-[(4-ethylphenyl)methylamino]piperidin-1-yl]ethanone
CID 96996485
(2S)-2-(4-piperidin-1-ylanilino)-N-(thiophen-2-ylmethyl)propanamide
CID 40809511
2-(4-piperidin-1-ylanilino)-N-(thiophen-2-ylmethyl)propanamide
CID 17423599

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(3R,4S)-1-acetyl-3-ethylpiperidin-4-yl]amino]-N-(thiophen-2-ylmethyl)propanamide?
The IUPAC name of (2R)-2-[[(3R,4S)-1-acetyl-3-ethylpiperidin-4-yl]amino]-N-(thiophen-2-ylmethyl)propanamide (CID 98791446) is (2R)-2-[[(3R,4S)-1-acetyl-3-ethylpiperidin-4-yl]amino]-N-(thiophen-2-ylmethyl)propanamide.
What is the SMILES notation for (2R)-2-[[(3R,4S)-1-acetyl-3-ethylpiperidin-4-yl]amino]-N-(thiophen-2-ylmethyl)propanamide?
The canonical SMILES for (2R)-2-[[(3R,4S)-1-acetyl-3-ethylpiperidin-4-yl]amino]-N-(thiophen-2-ylmethyl)propanamide is CC[C@@H]1CN(C(C)=O)CC[C@@H]1N[C@H](C)C(=O)NCc1cccs1.
What is the InChIKey of (2R)-2-[[(3R,4S)-1-acetyl-3-ethylpiperidin-4-yl]amino]-N-(thiophen-2-ylmethyl)propanamide?
The InChIKey is JCUWUGGNVBZLSA-XPKDYRNWSA-N. The full InChI is InChI=1S/C17H27N3O2S/c1-4-14-11-20(13(3)21)8-7-16(14)19-12(2)17(22)18-10-15-6-5-9-23-15/h5-6,9,12,14,16,19H,4,7-8,10-11H2,1-3H3,(H,18,22)/t12-,14-,16+/m1/s1.
What are the key properties of (2R)-2-[[(3R,4S)-1-acetyl-3-ethylpiperidin-4-yl]amino]-N-(thiophen-2-ylmethyl)propanamide?
(2R)-2-[[(3R,4S)-1-acetyl-3-ethylpiperidin-4-yl]amino]-N-(thiophen-2-ylmethyl)propanamide has a molecular weight of 337.49 g/mol, XLogP of 1.99, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[(3R,4S)-1-acetyl-3-ethylpiperidin-4-yl]amino]-N-(thiophen-2-ylmethyl)propanamide is sourced from PubChem (CID 98791446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).