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

C16H26N4O2S — CID 118770462

IUPACN-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-1-(oxan-4-yl)piperidine-4-carboxamide
SMILESCc1nnc(CCNC(=O)C2CCN(C3CCOCC3)CC2)s1
InChIInChI=1S/C16H26N4O2S/c1-12-18-19-15(23-12)2-7-17-16(21)13-3-8-20(9-4-13)14-5-10-22-11-6-14/h13-14H,2-11H2,1H3,(H,17,21)
InChIKeyWEHOKLOKYZDCRF-UHFFFAOYSA-N
MW338.48 g/mol
LogP1.40
Rot. Bonds5

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

N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-1-(oxan-4-yl)piperidine-4-carboxamide (PubChem CID 118770462) has the molecular formula C16H26N4O2S and a molecular weight of 338.48 g/mol. Its IUPAC name is N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-1-(oxan-4-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-1-(oxan-4-yl)piperidine-4-carboxamide
PubChem CID118770462
Molecular FormulaC16H26N4O2S
Molecular Weight338.48 g/mol
Exact Mass338.18
IUPAC NameN-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-1-(oxan-4-yl)piperidine-4-carboxamide
SMILESCc1nnc(CCNC(=O)C2CCN(C3CCOCC3)CC2)s1
InChIInChI=1S/C16H26N4O2S/c1-12-18-19-15(23-12)2-7-17-16(21)13-3-8-20(9-4-13)14-5-10-22-11-6-14/h13-14H,2-11H2,1H3,(H,17,21)
InChIKeyWEHOKLOKYZDCRF-UHFFFAOYSA-N
XLogP1.40
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.48
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-cyclopentyl-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]piperidine-3-carboxamide
CID 72885646
(3R)-1-acetyl-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]piperidine-3-carboxamide
CID 97188621
(3S)-1-cyclopropyl-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 97150664
N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1-(oxan-4-yl)piperidine-3-carboxamide
CID 72890644
(3S)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1-(oxan-4-yl)piperidine-3-carboxamide
CID 97198838
(3S)-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-1-propanoylpiperidine-3-carboxamide
CID 97273284
1-N,1-N-dimethyl-3-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]piperidine-1,3-dicarboxamide
CID 72857111
(3S)-N-[3-(5-amino-1,3,4-thiadiazol-2-yl)propyl]-1-(oxan-4-yl)piperidine-3-carboxamide
CID 97188368
(4S)-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-2,3,4,5-tetrahydro-1-benzoxepine-4-carboxamide
CID 97434258
1-(oxan-4-yl)-N-(2-pyrrol-1-ylethyl)piperidine-4-carboxamide
CID 118768994
1-(oxan-4-yl)-N-(3-pyridin-2-ylpropyl)piperidine-4-carboxamide
CID 118760765
1-(oxan-4-yl)-N-(3-pyrrol-1-ylpropyl)piperidine-4-carboxamide
CID 119062469

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-1-(oxan-4-yl)piperidine-4-carboxamide?
The IUPAC name of N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-1-(oxan-4-yl)piperidine-4-carboxamide (CID 118770462) is N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-1-(oxan-4-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-1-(oxan-4-yl)piperidine-4-carboxamide?
The canonical SMILES for N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-1-(oxan-4-yl)piperidine-4-carboxamide is Cc1nnc(CCNC(=O)C2CCN(C3CCOCC3)CC2)s1.
What is the InChIKey of N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-1-(oxan-4-yl)piperidine-4-carboxamide?
The InChIKey is WEHOKLOKYZDCRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2S/c1-12-18-19-15(23-12)2-7-17-16(21)13-3-8-20(9-4-13)14-5-10-22-11-6-14/h13-14H,2-11H2,1H3,(H,17,21).
What are the key properties of N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-1-(oxan-4-yl)piperidine-4-carboxamide?
N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-1-(oxan-4-yl)piperidine-4-carboxamide has a molecular weight of 338.48 g/mol, XLogP of 1.40, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-1-(oxan-4-yl)piperidine-4-carboxamide is sourced from PubChem (CID 118770462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).