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

C14H22N4O2S — CID 97273284

IUPAC(3S)-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-1-propanoylpiperidine-3-carboxamide
SMILESCCC(=O)N1CCC[C@H](C(=O)NCCc2nnc(C)s2)C1
InChIInChI=1S/C14H22N4O2S/c1-3-13(19)18-8-4-5-11(9-18)14(20)15-7-6-12-17-16-10(2)21-12/h11H,3-9H2,1-2H3,(H,15,20)/t11-/m0/s1
InChIKeyQNQJKURHYFQUSY-NSHDSACASA-N
MW310.42 g/mol
LogP1.15
Rot. Bonds5

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

(3S)-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-1-propanoylpiperidine-3-carboxamide (PubChem CID 97273284) has the molecular formula C14H22N4O2S and a molecular weight of 310.42 g/mol. Its IUPAC name is (3S)-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-1-propanoylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-1-propanoylpiperidine-3-carboxamide
PubChem CID97273284
Molecular FormulaC14H22N4O2S
Molecular Weight310.42 g/mol
Exact Mass310.15
IUPAC Name(3S)-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-1-propanoylpiperidine-3-carboxamide
SMILESCCC(=O)N1CCC[C@H](C(=O)NCCc2nnc(C)s2)C1
InChIInChI=1S/C14H22N4O2S/c1-3-13(19)18-8-4-5-11(9-18)14(20)15-7-6-12-17-16-10(2)21-12/h11H,3-9H2,1-2H3,(H,15,20)/t11-/m0/s1
InChIKeyQNQJKURHYFQUSY-NSHDSACASA-N
XLogP1.15
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

(3R)-1-acetyl-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]piperidine-3-carboxamide
CID 97188621
1-N,1-N-dimethyl-3-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]piperidine-1,3-dicarboxamide
CID 72857111
1-cyclopentyl-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]piperidine-3-carboxamide
CID 72885646
N-ethyl-1-propanoylpiperidine-3-carboxamide
CID 68576487
N-(2-aminoethyl)-1-propanoylpiperidine-3-carboxamide;hydrochloride
CID 119385384
N-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]-1-propanoylpiperidine-3-carboxamide
CID 72886154
(3R)-N-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]-1-propanoylpiperidine-3-carboxamide
CID 97276822
(3R)-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-1-propanoylpiperidine-3-carboxamide
CID 97276336
N-(3-hydroxybutyl)-1-propanoylpiperidine-3-carboxamide
CID 111429215
N-(2-benzamidoethyl)-1-propanoylpiperidine-3-carboxamide
CID 47049072
(3S)-1-cyclopropyl-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 97150664
N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-1-(oxan-4-yl)piperidine-4-carboxamide
CID 118770462

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-1-propanoylpiperidine-3-carboxamide?
The IUPAC name of (3S)-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-1-propanoylpiperidine-3-carboxamide (CID 97273284) is (3S)-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-1-propanoylpiperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-1-propanoylpiperidine-3-carboxamide?
The canonical SMILES for (3S)-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-1-propanoylpiperidine-3-carboxamide is CCC(=O)N1CCC[C@H](C(=O)NCCc2nnc(C)s2)C1.
What is the InChIKey of (3S)-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-1-propanoylpiperidine-3-carboxamide?
The InChIKey is QNQJKURHYFQUSY-NSHDSACASA-N. The full InChI is InChI=1S/C14H22N4O2S/c1-3-13(19)18-8-4-5-11(9-18)14(20)15-7-6-12-17-16-10(2)21-12/h11H,3-9H2,1-2H3,(H,15,20)/t11-/m0/s1.
What are the key properties of (3S)-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-1-propanoylpiperidine-3-carboxamide?
(3S)-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-1-propanoylpiperidine-3-carboxamide has a molecular weight of 310.42 g/mol, XLogP of 1.15, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-1-propanoylpiperidine-3-carboxamide is sourced from PubChem (CID 97273284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).