2-cyclobutyl-N-[1-(1,3-thiazol-4-ylmethyl)piperidin-4-yl]pyrrolidine-1-carboxamide

C18H28N4OS — CID 86777230

IUPAC2-cyclobutyl-N-[1-(1,3-thiazol-4-ylmethyl)piperidin-4-yl]pyrrolidine-1-carboxamide
SMILESO=C(NC1CCN(Cc2cscn2)CC1)N1CCCC1C1CCC1
InChIInChI=1S/C18H28N4OS/c23-18(22-8-2-5-17(22)14-3-1-4-14)20-15-6-9-21(10-7-15)11-16-12-24-13-19-16/h12-15,17H,1-11H2,(H,20,23)
InChIKeyOVCUSQIJPSJOJB-UHFFFAOYSA-N
MW348.52 g/mol
LogP3.08
Rot. Bonds4

About 2-cyclobutyl-N-[1-(1,3-thiazol-4-ylmethyl)piperidin-4-yl]pyrrolidine-1-carboxamide

2-cyclobutyl-N-[1-(1,3-thiazol-4-ylmethyl)piperidin-4-yl]pyrrolidine-1-carboxamide (PubChem CID 86777230) has the molecular formula C18H28N4OS and a molecular weight of 348.52 g/mol. Its IUPAC name is 2-cyclobutyl-N-[1-(1,3-thiazol-4-ylmethyl)piperidin-4-yl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name2-cyclobutyl-N-[1-(1,3-thiazol-4-ylmethyl)piperidin-4-yl]pyrrolidine-1-carboxamide
PubChem CID86777230
Molecular FormulaC18H28N4OS
Molecular Weight348.52 g/mol
Exact Mass348.20
IUPAC Name2-cyclobutyl-N-[1-(1,3-thiazol-4-ylmethyl)piperidin-4-yl]pyrrolidine-1-carboxamide
SMILESO=C(NC1CCN(Cc2cscn2)CC1)N1CCCC1C1CCC1
InChIInChI=1S/C18H28N4OS/c23-18(22-8-2-5-17(22)14-3-1-4-14)20-15-6-9-21(10-7-15)11-16-12-24-13-19-16/h12-15,17H,1-11H2,(H,20,23)
InChIKeyOVCUSQIJPSJOJB-UHFFFAOYSA-N
XLogP3.08
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.52
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(cyclopropylmethyl)-1-(1,3-thiazol-4-ylmethyl)piperidin-4-amine
CID 78924569
4-[(2-cyclobutylpyrrolidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 122024853
(3R)-N-cyclohexyl-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidine-1-carboxamide
CID 97187985
pyrrolidin-1-yl-[(3S)-1-[1-(1,3-thiazol-4-ylmethyl)piperidin-4-yl]piperidin-3-yl]methanone
CID 95558373
formic acid;(2S)-1-methyl-N-[[1-(1,3-thiazol-4-ylmethyl)piperidin-4-yl]methyl]pyrrolidine-2-carboxamide
CID 154914777
N-cyclobutyl-2-piperidin-4-ylazepane-1-carboxamide
CID 116658214
(2R)-2-cyclobutyl-N-[4-(methoxymethyl)-1,3-thiazol-2-yl]pyrrolidine-1-carboxamide
CID 96999732
N-(2-aminoethyl)-1-(1,3-thiazol-4-ylmethyl)piperidine-3-carboxamide
CID 63253183
N-cyclopentyl-4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazine-1-carboxamide
CID 38204358
1-(1,3-thiazol-4-ylmethyl)-N-(2,2,5-trimethylhexan-3-yl)piperidin-4-amine
CID 75444299
3-(methylamino)-1-(1,3-thiazol-4-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one
CID 23554981
N-[(1R,3R)-3-cyclopropylcyclohexyl]-4-(1,2-oxazol-3-ylmethyl)piperazine-1-carboxamide
CID 95967566

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-N-[1-(1,3-thiazol-4-ylmethyl)piperidin-4-yl]pyrrolidine-1-carboxamide?
The IUPAC name of 2-cyclobutyl-N-[1-(1,3-thiazol-4-ylmethyl)piperidin-4-yl]pyrrolidine-1-carboxamide (CID 86777230) is 2-cyclobutyl-N-[1-(1,3-thiazol-4-ylmethyl)piperidin-4-yl]pyrrolidine-1-carboxamide.
What is the SMILES notation for 2-cyclobutyl-N-[1-(1,3-thiazol-4-ylmethyl)piperidin-4-yl]pyrrolidine-1-carboxamide?
The canonical SMILES for 2-cyclobutyl-N-[1-(1,3-thiazol-4-ylmethyl)piperidin-4-yl]pyrrolidine-1-carboxamide is O=C(NC1CCN(Cc2cscn2)CC1)N1CCCC1C1CCC1.
What is the InChIKey of 2-cyclobutyl-N-[1-(1,3-thiazol-4-ylmethyl)piperidin-4-yl]pyrrolidine-1-carboxamide?
The InChIKey is OVCUSQIJPSJOJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4OS/c23-18(22-8-2-5-17(22)14-3-1-4-14)20-15-6-9-21(10-7-15)11-16-12-24-13-19-16/h12-15,17H,1-11H2,(H,20,23).
What are the key properties of 2-cyclobutyl-N-[1-(1,3-thiazol-4-ylmethyl)piperidin-4-yl]pyrrolidine-1-carboxamide?
2-cyclobutyl-N-[1-(1,3-thiazol-4-ylmethyl)piperidin-4-yl]pyrrolidine-1-carboxamide has a molecular weight of 348.52 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-N-[1-(1,3-thiazol-4-ylmethyl)piperidin-4-yl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 86777230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).