(3R)-N-butyl-N-methyl-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide

C17H25N5OS — CID 92706767

IUPAC(3R)-N-butyl-N-methyl-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
SMILESCCCCN(C)C(=O)[C@@H]1CCCN(c2nnc(-n3cccc3)s2)C1
InChIInChI=1S/C17H25N5OS/c1-3-4-9-20(2)15(23)14-8-7-12-22(13-14)17-19-18-16(24-17)21-10-5-6-11-21/h5-6,10-11,14H,3-4,7-9,12-13H2,1-2H3/t14-/m1/s1
InChIKeyRFYKABUYOYFIQD-CQSZACIVSA-N
MW347.49 g/mol
LogP2.80
Rot. Bonds6

About (3R)-N-butyl-N-methyl-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide

(3R)-N-butyl-N-methyl-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide (PubChem CID 92706767) has the molecular formula C17H25N5OS and a molecular weight of 347.49 g/mol. Its IUPAC name is (3R)-N-butyl-N-methyl-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-butyl-N-methyl-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
PubChem CID92706767
Molecular FormulaC17H25N5OS
Molecular Weight347.49 g/mol
Exact Mass347.18
IUPAC Name(3R)-N-butyl-N-methyl-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
SMILESCCCCN(C)C(=O)[C@@H]1CCCN(c2nnc(-n3cccc3)s2)C1
InChIInChI=1S/C17H25N5OS/c1-3-4-9-20(2)15(23)14-8-7-12-22(13-14)17-19-18-16(24-17)21-10-5-6-11-21/h5-6,10-11,14H,3-4,7-9,12-13H2,1-2H3/t14-/m1/s1
InChIKeyRFYKABUYOYFIQD-CQSZACIVSA-N
XLogP2.80
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.49
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-[cyclohexyl(methyl)amino]propyl]-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
CID 20926481
ethyl 4-[1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carbonyl]piperazine-1-carboxylate
CID 46281699
(3S)-N-(4-methylcyclohexyl)-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
CID 92701562
(3R)-N-(4-methylcyclohexyl)-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
CID 92701561
N-(3-propan-2-yloxypropyl)-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
CID 20889432
(3S)-N-butyl-N-methyl-1-[6-(4-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 93055757
N-(2-ethyl-6-methylphenyl)-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
CID 20926438
N-(3-ethylphenyl)-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
CID 20889425
(3R)-N-butyl-N-methyl-1-(2-phenylpyrimidin-4-yl)piperidine-3-carboxamide
CID 95055782
1-(5-amino-1,3,4-thiadiazol-2-yl)-N,N-diethylpiperidine-3-carboxamide
CID 154565221
N-(4-methoxyphenyl)-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
CID 20926402
N-(3,4-dimethylphenyl)-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
CID 20926428

Frequently Asked Questions

What is the IUPAC name of (3R)-N-butyl-N-methyl-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide?
The IUPAC name of (3R)-N-butyl-N-methyl-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide (CID 92706767) is (3R)-N-butyl-N-methyl-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-butyl-N-methyl-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-butyl-N-methyl-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide is CCCCN(C)C(=O)[C@@H]1CCCN(c2nnc(-n3cccc3)s2)C1.
What is the InChIKey of (3R)-N-butyl-N-methyl-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide?
The InChIKey is RFYKABUYOYFIQD-CQSZACIVSA-N. The full InChI is InChI=1S/C17H25N5OS/c1-3-4-9-20(2)15(23)14-8-7-12-22(13-14)17-19-18-16(24-17)21-10-5-6-11-21/h5-6,10-11,14H,3-4,7-9,12-13H2,1-2H3/t14-/m1/s1.
What are the key properties of (3R)-N-butyl-N-methyl-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide?
(3R)-N-butyl-N-methyl-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide has a molecular weight of 347.49 g/mol, XLogP of 2.80, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-butyl-N-methyl-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 92706767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).