N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-1-(oxolane-2-carbonyl)piperidine-4-carboxamide

C16H24N4O3S — CID 91837567

IUPACN-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-1-(oxolane-2-carbonyl)piperidine-4-carboxamide
SMILESCCc1nnc(CNC(=O)C2CCN(C(=O)C3CCCO3)CC2)s1
InChIInChI=1S/C16H24N4O3S/c1-2-13-18-19-14(24-13)10-17-15(21)11-5-7-20(8-6-11)16(22)12-4-3-9-23-12/h11-12H,2-10H2,1H3,(H,17,21)
InChIKeyXRLFEBMKSKTVPJ-UHFFFAOYSA-N
MW352.46 g/mol
LogP1.13
Rot. Bonds5

About N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-1-(oxolane-2-carbonyl)piperidine-4-carboxamide

N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-1-(oxolane-2-carbonyl)piperidine-4-carboxamide (PubChem CID 91837567) has the molecular formula C16H24N4O3S and a molecular weight of 352.46 g/mol. Its IUPAC name is N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-1-(oxolane-2-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-1-(oxolane-2-carbonyl)piperidine-4-carboxamide
PubChem CID91837567
Molecular FormulaC16H24N4O3S
Molecular Weight352.46 g/mol
Exact Mass352.16
IUPAC NameN-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-1-(oxolane-2-carbonyl)piperidine-4-carboxamide
SMILESCCc1nnc(CNC(=O)C2CCN(C(=O)C3CCCO3)CC2)s1
InChIInChI=1S/C16H24N4O3S/c1-2-13-18-19-14(24-13)10-17-15(21)11-5-7-20(8-6-11)16(22)12-4-3-9-23-12/h11-12H,2-10H2,1H3,(H,17,21)
InChIKeyXRLFEBMKSKTVPJ-UHFFFAOYSA-N
XLogP1.13
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-1-(oxolane-2-carbonyl)piperidine-4-carboxamide with MolForge

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Related Compounds

1-(cyclobutanecarbonyl)-N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]piperidine-4-carboxamide
CID 72889005
N-[(4-fluorophenyl)methyl]-1-(oxolane-2-carbonyl)piperidine-4-carboxamide
CID 113004216
1-(oxolane-2-carbonyl)-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide
CID 113003358
N-[[2-[1-(oxolane-2-carbonyl)piperidin-4-yl]-1,3-thiazol-4-yl]methyl]cyclobutanecarboxamide
CID 86771475
N-[2-(4-methylpiperidin-1-yl)ethyl]-1-(oxolane-2-carbonyl)piperidine-4-carboxamide
CID 56862595
1-(oxolane-2-carbonyl)-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]piperidine-4-carboxamide
CID 91844312
N'-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-4-(oxolane-2-carbonyl)piperazine-1-carboximidamide
CID 111514832
1-N-cyclohexyl-4-N-(5-ethyl-1,3,4-thiadiazol-2-yl)piperidine-1,4-dicarboxamide
CID 656355
N-[4-(diethylamino)phenyl]-1-(oxolane-2-carbonyl)piperidine-4-carboxamide
CID 113008099
N-[2-(4-methoxyphenoxy)ethyl]-1-(oxolane-2-carbonyl)piperidine-4-carboxamide
CID 113005371
[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 110419164
N-(3-cyclopentyloxypropyl)-1-[(2S)-oxolane-2-carbonyl]piperidine-4-carboxamide
CID 125438596

Frequently Asked Questions

What is the IUPAC name of N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-1-(oxolane-2-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-1-(oxolane-2-carbonyl)piperidine-4-carboxamide (CID 91837567) is N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-1-(oxolane-2-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-1-(oxolane-2-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-1-(oxolane-2-carbonyl)piperidine-4-carboxamide is CCc1nnc(CNC(=O)C2CCN(C(=O)C3CCCO3)CC2)s1.
What is the InChIKey of N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-1-(oxolane-2-carbonyl)piperidine-4-carboxamide?
The InChIKey is XRLFEBMKSKTVPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O3S/c1-2-13-18-19-14(24-13)10-17-15(21)11-5-7-20(8-6-11)16(22)12-4-3-9-23-12/h11-12H,2-10H2,1H3,(H,17,21).
What are the key properties of N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-1-(oxolane-2-carbonyl)piperidine-4-carboxamide?
N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-1-(oxolane-2-carbonyl)piperidine-4-carboxamide has a molecular weight of 352.46 g/mol, XLogP of 1.13, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-1-(oxolane-2-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 91837567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).