(3S)-3-N-[(2S)-1-thiophen-2-ylpropan-2-yl]piperidine-1,3-dicarboxamide

C14H21N3O2S — CID 32597617

IUPAC(3S)-3-N-[(2S)-1-thiophen-2-ylpropan-2-yl]piperidine-1,3-dicarboxamide
SMILESC[C@@H](Cc1cccs1)NC(=O)[C@H]1CCCN(C(N)=O)C1
InChIInChI=1S/C14H21N3O2S/c1-10(8-12-5-3-7-20-12)16-13(18)11-4-2-6-17(9-11)14(15)19/h3,5,7,10-11H,2,4,6,8-9H2,1H3,(H2,15,19)(H,16,18)/t10-,11-/m0/s1
InChIKeyVRGGGXWSVNYVEU-QWRGUYRKSA-N
MW295.41 g/mol
LogP1.59
Rot. Bonds4

About (3S)-3-N-[(2S)-1-thiophen-2-ylpropan-2-yl]piperidine-1,3-dicarboxamide

(3S)-3-N-[(2S)-1-thiophen-2-ylpropan-2-yl]piperidine-1,3-dicarboxamide (PubChem CID 32597617) has the molecular formula C14H21N3O2S and a molecular weight of 295.41 g/mol. Its IUPAC name is (3S)-3-N-[(2S)-1-thiophen-2-ylpropan-2-yl]piperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name(3S)-3-N-[(2S)-1-thiophen-2-ylpropan-2-yl]piperidine-1,3-dicarboxamide
PubChem CID32597617
Molecular FormulaC14H21N3O2S
Molecular Weight295.41 g/mol
Exact Mass295.14
IUPAC Name(3S)-3-N-[(2S)-1-thiophen-2-ylpropan-2-yl]piperidine-1,3-dicarboxamide
SMILESC[C@@H](Cc1cccs1)NC(=O)[C@H]1CCCN(C(N)=O)C1
InChIInChI=1S/C14H21N3O2S/c1-10(8-12-5-3-7-20-12)16-13(18)11-4-2-6-17(9-11)14(15)19/h3,5,7,10-11H,2,4,6,8-9H2,1H3,(H2,15,19)(H,16,18)/t10-,11-/m0/s1
InChIKeyVRGGGXWSVNYVEU-QWRGUYRKSA-N
XLogP1.59
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3S)-3-N-[(2S)-1-thiophen-2-ylpropan-2-yl]piperidine-1,3-dicarboxamide with MolForge

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Related Compounds

N-[(2R)-1-thiophen-2-ylpropan-2-yl]cyclobutanecarboxamide
CID 51897806
3-hydroxy-N-(1-thiophen-2-ylpropan-2-yl)piperidine-1-carboxamide
CID 110896289
N-propan-2-yl-1-(3-thiophen-2-ylpropanoyl)piperidine-3-carboxamide
CID 91953826
(3S)-N-[(2R)-4-methylpentan-2-yl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 97013445
2-[1-(1-thiophen-2-ylpropan-2-ylcarbamoyl)piperidin-3-yl]acetic acid
CID 63292234
(3R)-1-[(2S)-2-methyl-3-thiophen-2-ylpropanoyl]piperidine-3-carboxylic acid
CID 124576808
2-amino-N-(1-thiophen-2-ylpropan-2-yl)cyclohexane-1-carboxamide
CID 64824515
(2S)-1-(oxan-4-yl)-N-[(2S)-1-thiophen-2-ylpropan-2-yl]pyrrolidine-2-carboxamide
CID 124591408
cis-(1S,2R)-2-(1-thiophen-2-ylpropan-2-ylcarbamoyl)cyclopentane-1-carboxylic acid
CID 114091889
(3S)-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide
CID 51943392
(2R)-2-[[(3S)-1-carbamoylpiperidine-3-carbonyl]amino]-3-phenylpropanoic acid
CID 125149297
(2S)-N-(1-thiophen-2-ylpropan-2-yl)pyrrolidine-2-carboxamide
CID 61178552

Frequently Asked Questions

What is the IUPAC name of (3S)-3-N-[(2S)-1-thiophen-2-ylpropan-2-yl]piperidine-1,3-dicarboxamide?
The IUPAC name of (3S)-3-N-[(2S)-1-thiophen-2-ylpropan-2-yl]piperidine-1,3-dicarboxamide (CID 32597617) is (3S)-3-N-[(2S)-1-thiophen-2-ylpropan-2-yl]piperidine-1,3-dicarboxamide.
What is the SMILES notation for (3S)-3-N-[(2S)-1-thiophen-2-ylpropan-2-yl]piperidine-1,3-dicarboxamide?
The canonical SMILES for (3S)-3-N-[(2S)-1-thiophen-2-ylpropan-2-yl]piperidine-1,3-dicarboxamide is C[C@@H](Cc1cccs1)NC(=O)[C@H]1CCCN(C(N)=O)C1.
What is the InChIKey of (3S)-3-N-[(2S)-1-thiophen-2-ylpropan-2-yl]piperidine-1,3-dicarboxamide?
The InChIKey is VRGGGXWSVNYVEU-QWRGUYRKSA-N. The full InChI is InChI=1S/C14H21N3O2S/c1-10(8-12-5-3-7-20-12)16-13(18)11-4-2-6-17(9-11)14(15)19/h3,5,7,10-11H,2,4,6,8-9H2,1H3,(H2,15,19)(H,16,18)/t10-,11-/m0/s1.
What are the key properties of (3S)-3-N-[(2S)-1-thiophen-2-ylpropan-2-yl]piperidine-1,3-dicarboxamide?
(3S)-3-N-[(2S)-1-thiophen-2-ylpropan-2-yl]piperidine-1,3-dicarboxamide has a molecular weight of 295.41 g/mol, XLogP of 1.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-N-[(2S)-1-thiophen-2-ylpropan-2-yl]piperidine-1,3-dicarboxamide is sourced from PubChem (CID 32597617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).