(3S)-1-[(2R)-2-thiophen-2-ylpropanoyl]piperidine-3-carboxamide

C13H18N2O2S — CID 172908504

IUPAC(3S)-1-[(2R)-2-thiophen-2-ylpropanoyl]piperidine-3-carboxamide
SMILESC[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)c1cccs1
InChIInChI=1S/C13H18N2O2S/c1-9(11-5-3-7-18-11)13(17)15-6-2-4-10(8-15)12(14)16/h3,5,7,9-10H,2,4,6,8H2,1H3,(H2,14,16)/t9-,10-/m0/s1
InChIKeyJQNFTWVJWFLFOK-UWVGGRQHSA-N
MW266.37 g/mol
LogP1.58
Rot. Bonds3

About (3S)-1-[(2R)-2-thiophen-2-ylpropanoyl]piperidine-3-carboxamide

(3S)-1-[(2R)-2-thiophen-2-ylpropanoyl]piperidine-3-carboxamide (PubChem CID 172908504) has the molecular formula C13H18N2O2S and a molecular weight of 266.37 g/mol. Its IUPAC name is (3S)-1-[(2R)-2-thiophen-2-ylpropanoyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-[(2R)-2-thiophen-2-ylpropanoyl]piperidine-3-carboxamide
PubChem CID172908504
Molecular FormulaC13H18N2O2S
Molecular Weight266.37 g/mol
Exact Mass266.11
IUPAC Name(3S)-1-[(2R)-2-thiophen-2-ylpropanoyl]piperidine-3-carboxamide
SMILESC[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)c1cccs1
InChIInChI=1S/C13H18N2O2S/c1-9(11-5-3-7-18-11)13(17)15-6-2-4-10(8-15)12(14)16/h3,5,7,9-10H,2,4,6,8H2,1H3,(H2,14,16)/t9-,10-/m0/s1
InChIKeyJQNFTWVJWFLFOK-UWVGGRQHSA-N
XLogP1.58
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-[(2S)-2-thiophen-2-ylpropanoyl]piperidine-3-carboxylic acid
CID 124576625
(3R)-1-[(2S)-2-thiophen-2-ylpropanoyl]piperidine-3-sulfonamide
CID 97218661
(3S)-1-[2-[(R)-[(1R)-1-thiophen-2-ylethyl]sulfinyl]acetyl]piperidine-3-carboxamide
CID 97226016
3-[(3R)-1-[(2R)-2-thiophen-2-ylpropanoyl]piperidin-3-yl]propanoic acid
CID 124689811
1-(2-amino-2-thiophen-2-ylacetyl)piperidine-3-carboxylic acid
CID 115286846
1-(3-morpholin-4-ylsulfonylpiperidin-1-yl)-2-thiophen-2-ylpropan-1-one
CID 127778958
(2R)-1-[(3R)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-thiophen-2-ylpropan-1-one
CID 95773697
1-(2-sulfanylpropanoyl)piperidine-3-carboxamide
CID 107019311
(3R)-1-[(2S)-2-(4-phenylpiperazin-1-yl)propanoyl]piperidine-3-carboxamide
CID 32735224
(3S)-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide
CID 51943392
1-(2-chloropropanoyl)piperidine-3-carboxamide
CID 24691104
(3R)-1-[(2S)-2-methyl-3-thiophen-2-ylpropanoyl]piperidine-3-carboxylic acid
CID 124576808

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(2R)-2-thiophen-2-ylpropanoyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-1-[(2R)-2-thiophen-2-ylpropanoyl]piperidine-3-carboxamide (CID 172908504) is (3S)-1-[(2R)-2-thiophen-2-ylpropanoyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-[(2R)-2-thiophen-2-ylpropanoyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-[(2R)-2-thiophen-2-ylpropanoyl]piperidine-3-carboxamide is C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)c1cccs1.
What is the InChIKey of (3S)-1-[(2R)-2-thiophen-2-ylpropanoyl]piperidine-3-carboxamide?
The InChIKey is JQNFTWVJWFLFOK-UWVGGRQHSA-N. The full InChI is InChI=1S/C13H18N2O2S/c1-9(11-5-3-7-18-11)13(17)15-6-2-4-10(8-15)12(14)16/h3,5,7,9-10H,2,4,6,8H2,1H3,(H2,14,16)/t9-,10-/m0/s1.
What are the key properties of (3S)-1-[(2R)-2-thiophen-2-ylpropanoyl]piperidine-3-carboxamide?
(3S)-1-[(2R)-2-thiophen-2-ylpropanoyl]piperidine-3-carboxamide has a molecular weight of 266.37 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[(2R)-2-thiophen-2-ylpropanoyl]piperidine-3-carboxamide is sourced from PubChem (CID 172908504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).