4-[(2R)-oxolan-2-yl]-N-[[(2S)-thiolan-2-yl]methyl]piperidine-1-carboxamide

C15H26N2O2S — CID 99824153

IUPAC4-[(2R)-oxolan-2-yl]-N-[[(2S)-thiolan-2-yl]methyl]piperidine-1-carboxamide
SMILESO=C(NC[C@@H]1CCCS1)N1CCC([C@H]2CCCO2)CC1
InChIInChI=1S/C15H26N2O2S/c18-15(16-11-13-3-2-10-20-13)17-7-5-12(6-8-17)14-4-1-9-19-14/h12-14H,1-11H2,(H,16,18)/t13-,14+/m0/s1
InChIKeyMRCCOGFEBMAXBR-UONOGXRCSA-N
MW298.45 g/mol
LogP2.48
Rot. Bonds3

About 4-[(2R)-oxolan-2-yl]-N-[[(2S)-thiolan-2-yl]methyl]piperidine-1-carboxamide

4-[(2R)-oxolan-2-yl]-N-[[(2S)-thiolan-2-yl]methyl]piperidine-1-carboxamide (PubChem CID 99824153) has the molecular formula C15H26N2O2S and a molecular weight of 298.45 g/mol. Its IUPAC name is 4-[(2R)-oxolan-2-yl]-N-[[(2S)-thiolan-2-yl]methyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[(2R)-oxolan-2-yl]-N-[[(2S)-thiolan-2-yl]methyl]piperidine-1-carboxamide
PubChem CID99824153
Molecular FormulaC15H26N2O2S
Molecular Weight298.45 g/mol
Exact Mass298.17
IUPAC Name4-[(2R)-oxolan-2-yl]-N-[[(2S)-thiolan-2-yl]methyl]piperidine-1-carboxamide
SMILESO=C(NC[C@@H]1CCCS1)N1CCC([C@H]2CCCO2)CC1
InChIInChI=1S/C15H26N2O2S/c18-15(16-11-13-3-2-10-20-13)17-7-5-12(6-8-17)14-4-1-9-19-14/h12-14H,1-11H2,(H,16,18)/t13-,14+/m0/s1
InChIKeyMRCCOGFEBMAXBR-UONOGXRCSA-N
XLogP2.48
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.45
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(thiolan-2-ylmethylcarbamoyl)pyrrolidin-3-yl]acetic acid
CID 80586458
4-[(2S)-oxolan-2-yl]-N-[2-(1,3-thiazol-2-yl)ethyl]piperidine-1-carboxamide
CID 124619443
2-[(2R)-oxolan-2-yl]-N-[[(2R)-thiolan-2-yl]methyl]acetamide
CID 97068683
N-(2-tert-butylsulfanylethyl)-4-[(2S)-oxolan-2-yl]piperidine-1-carboxamide
CID 100651761
4-ethyl-1-(thiolan-2-ylmethylcarbamoyl)piperidine-4-carboxylic acid
CID 80586532
3-[4-(thian-2-ylmethylcarbamoyl)piperazin-1-yl]propanoic acid
CID 80609392
2-(thiolan-2-ylmethylcarbamoyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid
CID 102890515
2-[4-(thian-2-ylmethylcarbamoyl)piperazin-1-yl]propanoic acid
CID 80609252
N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-4-[(2R)-oxolan-2-yl]piperidine-1-carboxamide
CID 99824108
N-[(2R)-4-methylsulfonylbutan-2-yl]-4-[(2R)-oxolan-2-yl]piperidine-1-carboxamide
CID 124619633
4-ethyl-1-(thian-2-ylmethylcarbamoyl)piperidine-4-carboxylic acid
CID 80609398
(4aR,8aS)-N-(2,2,2-trifluoroethyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-6-carboxamide
CID 124573175

Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-oxolan-2-yl]-N-[[(2S)-thiolan-2-yl]methyl]piperidine-1-carboxamide?
The IUPAC name of 4-[(2R)-oxolan-2-yl]-N-[[(2S)-thiolan-2-yl]methyl]piperidine-1-carboxamide (CID 99824153) is 4-[(2R)-oxolan-2-yl]-N-[[(2S)-thiolan-2-yl]methyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-[(2R)-oxolan-2-yl]-N-[[(2S)-thiolan-2-yl]methyl]piperidine-1-carboxamide?
The canonical SMILES for 4-[(2R)-oxolan-2-yl]-N-[[(2S)-thiolan-2-yl]methyl]piperidine-1-carboxamide is O=C(NC[C@@H]1CCCS1)N1CCC([C@H]2CCCO2)CC1.
What is the InChIKey of 4-[(2R)-oxolan-2-yl]-N-[[(2S)-thiolan-2-yl]methyl]piperidine-1-carboxamide?
The InChIKey is MRCCOGFEBMAXBR-UONOGXRCSA-N. The full InChI is InChI=1S/C15H26N2O2S/c18-15(16-11-13-3-2-10-20-13)17-7-5-12(6-8-17)14-4-1-9-19-14/h12-14H,1-11H2,(H,16,18)/t13-,14+/m0/s1.
What are the key properties of 4-[(2R)-oxolan-2-yl]-N-[[(2S)-thiolan-2-yl]methyl]piperidine-1-carboxamide?
4-[(2R)-oxolan-2-yl]-N-[[(2S)-thiolan-2-yl]methyl]piperidine-1-carboxamide has a molecular weight of 298.45 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-oxolan-2-yl]-N-[[(2S)-thiolan-2-yl]methyl]piperidine-1-carboxamide is sourced from PubChem (CID 99824153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).