(3S)-1-(2,2-dimethylpropanoyl)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide

C15H24N4O3S — CID 94857759

IUPAC(3S)-1-(2,2-dimethylpropanoyl)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide
SMILESCOCc1nnc(NC(=O)[C@H]2CCCN(C(=O)C(C)(C)C)C2)s1
InChIInChI=1S/C15H24N4O3S/c1-15(2,3)13(21)19-7-5-6-10(8-19)12(20)16-14-18-17-11(23-14)9-22-4/h10H,5-9H2,1-4H3,(H,16,18,20)/t10-/m0/s1
InChIKeyOCSWGTCTQNNLST-JTQLQIEISA-N
MW340.45 g/mol
LogP1.91
Rot. Bonds4

About (3S)-1-(2,2-dimethylpropanoyl)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide

(3S)-1-(2,2-dimethylpropanoyl)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide (PubChem CID 94857759) has the molecular formula C15H24N4O3S and a molecular weight of 340.45 g/mol. Its IUPAC name is (3S)-1-(2,2-dimethylpropanoyl)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(2,2-dimethylpropanoyl)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide
PubChem CID94857759
Molecular FormulaC15H24N4O3S
Molecular Weight340.45 g/mol
Exact Mass340.16
IUPAC Name(3S)-1-(2,2-dimethylpropanoyl)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide
SMILESCOCc1nnc(NC(=O)[C@H]2CCCN(C(=O)C(C)(C)C)C2)s1
InChIInChI=1S/C15H24N4O3S/c1-15(2,3)13(21)19-7-5-6-10(8-19)12(20)16-14-18-17-11(23-14)9-22-4/h10H,5-9H2,1-4H3,(H,16,18,20)/t10-/m0/s1
InChIKeyOCSWGTCTQNNLST-JTQLQIEISA-N
XLogP1.91
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-butyl-1,3,4-thiadiazol-2-yl)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide
CID 47988948
(3S)-3-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide
CID 94857964
N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide
CID 19202988
3-N-(5-butyl-1,3,4-thiadiazol-2-yl)-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide
CID 56921381
1-butanoyl-N-(5-octyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
CID 55906892
tert-butyl (3R)-1-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]piperidine-3-carboxylate
CID 129380197
tert-butyl (3S)-1-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]piperidine-3-carboxylate
CID 129380196
methyl (3S)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxylate
CID 78919329
1-(2,2-dimethylpropanoyl)-N-methylpiperidine-3-carboxamide
CID 47406835
(3S)-1-(2,2-dimethylpropanoyl)-N-(2-methoxyphenyl)piperidine-3-carboxamide
CID 94857559
3-N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide
CID 56921245
1-(2,2-dimethylpropanoyl)-N-[5-[(2-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide
CID 17224509

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(2,2-dimethylpropanoyl)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide?
The IUPAC name of (3S)-1-(2,2-dimethylpropanoyl)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide (CID 94857759) is (3S)-1-(2,2-dimethylpropanoyl)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(2,2-dimethylpropanoyl)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-(2,2-dimethylpropanoyl)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide is COCc1nnc(NC(=O)[C@H]2CCCN(C(=O)C(C)(C)C)C2)s1.
What is the InChIKey of (3S)-1-(2,2-dimethylpropanoyl)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide?
The InChIKey is OCSWGTCTQNNLST-JTQLQIEISA-N. The full InChI is InChI=1S/C15H24N4O3S/c1-15(2,3)13(21)19-7-5-6-10(8-19)12(20)16-14-18-17-11(23-14)9-22-4/h10H,5-9H2,1-4H3,(H,16,18,20)/t10-/m0/s1.
What are the key properties of (3S)-1-(2,2-dimethylpropanoyl)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide?
(3S)-1-(2,2-dimethylpropanoyl)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide has a molecular weight of 340.45 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(2,2-dimethylpropanoyl)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide is sourced from PubChem (CID 94857759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).