N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-4-[(2R)-oxolan-2-yl]piperidine-1-carboxamide

C17H27N3O2S — CID 99824108

IUPACN-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-4-[(2R)-oxolan-2-yl]piperidine-1-carboxamide
SMILESCCc1cnc(CCNC(=O)N2CCC([C@H]3CCCO3)CC2)s1
InChIInChI=1S/C17H27N3O2S/c1-2-14-12-19-16(23-14)5-8-18-17(21)20-9-6-13(7-10-20)15-4-3-11-22-15/h12-13,15H,2-11H2,1H3,(H,18,21)/t15-/m1/s1
InChIKeyGGGQRCLDNXRILD-OAHLLOKOSA-N
MW337.49 g/mol
LogP2.85
Rot. Bonds5

About N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-4-[(2R)-oxolan-2-yl]piperidine-1-carboxamide

N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-4-[(2R)-oxolan-2-yl]piperidine-1-carboxamide (PubChem CID 99824108) has the molecular formula C17H27N3O2S and a molecular weight of 337.49 g/mol. Its IUPAC name is N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-4-[(2R)-oxolan-2-yl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-4-[(2R)-oxolan-2-yl]piperidine-1-carboxamide
PubChem CID99824108
Molecular FormulaC17H27N3O2S
Molecular Weight337.49 g/mol
Exact Mass337.18
IUPAC NameN-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-4-[(2R)-oxolan-2-yl]piperidine-1-carboxamide
SMILESCCc1cnc(CCNC(=O)N2CCC([C@H]3CCCO3)CC2)s1
InChIInChI=1S/C17H27N3O2S/c1-2-14-12-19-16(23-14)5-8-18-17(21)20-9-6-13(7-10-20)15-4-3-11-22-15/h12-13,15H,2-11H2,1H3,(H,18,21)/t15-/m1/s1
InChIKeyGGGQRCLDNXRILD-OAHLLOKOSA-N
XLogP2.85
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.49
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-4-[(2R)-oxolan-2-yl]piperidine-1-carboxamide?
The IUPAC name of N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-4-[(2R)-oxolan-2-yl]piperidine-1-carboxamide (CID 99824108) is N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-4-[(2R)-oxolan-2-yl]piperidine-1-carboxamide.
What is the SMILES notation for N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-4-[(2R)-oxolan-2-yl]piperidine-1-carboxamide?
The canonical SMILES for N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-4-[(2R)-oxolan-2-yl]piperidine-1-carboxamide is CCc1cnc(CCNC(=O)N2CCC([C@H]3CCCO3)CC2)s1.
What is the InChIKey of N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-4-[(2R)-oxolan-2-yl]piperidine-1-carboxamide?
The InChIKey is GGGQRCLDNXRILD-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H27N3O2S/c1-2-14-12-19-16(23-14)5-8-18-17(21)20-9-6-13(7-10-20)15-4-3-11-22-15/h12-13,15H,2-11H2,1H3,(H,18,21)/t15-/m1/s1.
What are the key properties of N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-4-[(2R)-oxolan-2-yl]piperidine-1-carboxamide?
N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-4-[(2R)-oxolan-2-yl]piperidine-1-carboxamide has a molecular weight of 337.49 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-4-[(2R)-oxolan-2-yl]piperidine-1-carboxamide is sourced from PubChem (CID 99824108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).