N-[[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methyl]oxolane-3-carboxamide

C17H27N3O2S — CID 56787162

IUPACN-[[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methyl]oxolane-3-carboxamide
SMILESCCc1nc(CN2CCC(CNC(=O)C3CCOC3)CC2)cs1
InChIInChI=1S/C17H27N3O2S/c1-2-16-19-15(12-23-16)10-20-6-3-13(4-7-20)9-18-17(21)14-5-8-22-11-14/h12-14H,2-11H2,1H3,(H,18,21)
InChIKeyLEQRVTAATMSYQK-UHFFFAOYSA-N
MW337.49 g/mol
LogP2.07
Rot. Bonds6

About N-[[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methyl]oxolane-3-carboxamide

N-[[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methyl]oxolane-3-carboxamide (PubChem CID 56787162) has the molecular formula C17H27N3O2S and a molecular weight of 337.49 g/mol. Its IUPAC name is N-[[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methyl]oxolane-3-carboxamide.

Molecular Properties

Compound NameN-[[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methyl]oxolane-3-carboxamide
PubChem CID56787162
Molecular FormulaC17H27N3O2S
Molecular Weight337.49 g/mol
Exact Mass337.18
IUPAC NameN-[[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methyl]oxolane-3-carboxamide
SMILESCCc1nc(CN2CCC(CNC(=O)C3CCOC3)CC2)cs1
InChIInChI=1S/C17H27N3O2S/c1-2-16-19-15(12-23-16)10-20-6-3-13(4-7-20)9-18-17(21)14-5-8-22-11-14/h12-14H,2-11H2,1H3,(H,18,21)
InChIKeyLEQRVTAATMSYQK-UHFFFAOYSA-N
XLogP2.07
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.49
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methyl]oxolane-3-carboxamide with MolForge

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Related Compounds

1-[(2-Ethyl-1,3-thiazol-4-yl)methyl]-4-(oxolane-3-carbonyl)-1,4-diazepane
CID 53615439
1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-N-propylpiperidine-4-carboxamide
CID 53518138
1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-propylpiperidine-4-carboxamide
CID 53519126
1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-N-propylpiperidine-4-carboxamide
CID 53519583
[4-[(2-Ethyl-1,3-thiazol-4-yl)methyl]-1,4-diazepan-1-yl]-(oxan-4-yl)methanone
CID 53600155
N-[[1-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl]piperidin-4-yl]methyl]acetamide
CID 72008390
N-{(3R*,4S*)-4-isopropyl-1-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-pyrrolidinyl}tetrahydro-2H-pyran-4-carboxamide
CID 72863366
4-[[(2-Ethyl-1,3-thiazol-4-yl)methylamino]methyl]oxane-4-carboxamide
CID 75378282
N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]oxolane-3-carboxamide
CID 75417636
2-methyl-N-({2-[1-(3-methylbutanoyl)piperidin-3-yl]-1,3-thiazol-4-yl}methyl)propanamide
CID 53149422
N-({2-[1-(cyclopentylcarbonyl)-3-piperidyl]-1,3-thiazol-4-yl}methyl)-2-methylpropanamide
CID 53149425
N-{[2-(1-butyryl-3-piperidyl)-1,3-thiazol-4-yl]methyl}-2-methylpropanamide
CID 53149435

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methyl]oxolane-3-carboxamide?
The IUPAC name of N-[[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methyl]oxolane-3-carboxamide (CID 56787162) is N-[[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methyl]oxolane-3-carboxamide.
What is the SMILES notation for N-[[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methyl]oxolane-3-carboxamide?
The canonical SMILES for N-[[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methyl]oxolane-3-carboxamide is CCc1nc(CN2CCC(CNC(=O)C3CCOC3)CC2)cs1.
What is the InChIKey of N-[[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methyl]oxolane-3-carboxamide?
The InChIKey is LEQRVTAATMSYQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2S/c1-2-16-19-15(12-23-16)10-20-6-3-13(4-7-20)9-18-17(21)14-5-8-22-11-14/h12-14H,2-11H2,1H3,(H,18,21).
What are the key properties of N-[[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methyl]oxolane-3-carboxamide?
N-[[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methyl]oxolane-3-carboxamide has a molecular weight of 337.49 g/mol, XLogP of 2.07, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methyl]oxolane-3-carboxamide is sourced from PubChem (CID 56787162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).