(3-pyrrolidin-1-ylpiperidin-1-yl)-(1,3-thiazol-4-yl)methanone

C13H19N3OS — CID 63049254

IUPAC(3-pyrrolidin-1-ylpiperidin-1-yl)-(1,3-thiazol-4-yl)methanone
SMILESO=C(c1cscn1)N1CCCC(N2CCCC2)C1
InChIInChI=1S/C13H19N3OS/c17-13(12-9-18-10-14-12)16-7-3-4-11(8-16)15-5-1-2-6-15/h9-11H,1-8H2
InChIKeyGNYKWCDRQUOXLK-UHFFFAOYSA-N
MW265.38 g/mol
LogP1.84
Rot. Bonds2

About (3-pyrrolidin-1-ylpiperidin-1-yl)-(1,3-thiazol-4-yl)methanone

(3-pyrrolidin-1-ylpiperidin-1-yl)-(1,3-thiazol-4-yl)methanone (PubChem CID 63049254) has the molecular formula C13H19N3OS and a molecular weight of 265.38 g/mol. Its IUPAC name is (3-pyrrolidin-1-ylpiperidin-1-yl)-(1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name(3-pyrrolidin-1-ylpiperidin-1-yl)-(1,3-thiazol-4-yl)methanone
PubChem CID63049254
Molecular FormulaC13H19N3OS
Molecular Weight265.38 g/mol
Exact Mass265.12
IUPAC Name(3-pyrrolidin-1-ylpiperidin-1-yl)-(1,3-thiazol-4-yl)methanone
SMILESO=C(c1cscn1)N1CCCC(N2CCCC2)C1
InChIInChI=1S/C13H19N3OS/c17-13(12-9-18-10-14-12)16-7-3-4-11(8-16)15-5-1-2-6-15/h9-11H,1-8H2
InChIKeyGNYKWCDRQUOXLK-UHFFFAOYSA-N
XLogP1.84
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl(1,3-thiazol-4-yl)methanone
CID 63048030
1-(1,3-thiazole-4-carbonyl)piperidine-3-carboxylic acid
CID 63023722
pyrrolidin-1-yl-[(3R)-1-[1-(1,3-thiazole-4-carbonyl)piperidin-4-yl]piperidin-3-yl]methanone
CID 95551648
azocan-1-yl(1,3-thiazol-4-yl)methanone
CID 62045313
(3R)-N-methyl-1-(1,3-thiazole-4-carbonyl)piperidine-3-carboxamide
CID 95828809
[(3R,4R)-3-hydroxy-4-pyrrolidin-1-ylpyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 73439865
1,3-thiazol-4-yl-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]piperidin-1-yl]methanone
CID 45249267
[(3S)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 95341014
[(3S)-3-methylpyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 143704110
N-cyclopropyl-1-[1-(1,3-thiazole-4-carbonyl)piperidin-4-yl]piperidine-3-carboxamide
CID 56870819
N-cyclopentyl-1-(1,3-thiazole-4-carbonyl)piperidine-3-sulfonamide
CID 75476178
cyclopropyl-[4-(1,3-thiazole-4-carbonyl)piperazin-1-yl]methanone
CID 63049768

Frequently Asked Questions

What is the IUPAC name of (3-pyrrolidin-1-ylpiperidin-1-yl)-(1,3-thiazol-4-yl)methanone?
The IUPAC name of (3-pyrrolidin-1-ylpiperidin-1-yl)-(1,3-thiazol-4-yl)methanone (CID 63049254) is (3-pyrrolidin-1-ylpiperidin-1-yl)-(1,3-thiazol-4-yl)methanone.
What is the SMILES notation for (3-pyrrolidin-1-ylpiperidin-1-yl)-(1,3-thiazol-4-yl)methanone?
The canonical SMILES for (3-pyrrolidin-1-ylpiperidin-1-yl)-(1,3-thiazol-4-yl)methanone is O=C(c1cscn1)N1CCCC(N2CCCC2)C1.
What is the InChIKey of (3-pyrrolidin-1-ylpiperidin-1-yl)-(1,3-thiazol-4-yl)methanone?
The InChIKey is GNYKWCDRQUOXLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3OS/c17-13(12-9-18-10-14-12)16-7-3-4-11(8-16)15-5-1-2-6-15/h9-11H,1-8H2.
What are the key properties of (3-pyrrolidin-1-ylpiperidin-1-yl)-(1,3-thiazol-4-yl)methanone?
(3-pyrrolidin-1-ylpiperidin-1-yl)-(1,3-thiazol-4-yl)methanone has a molecular weight of 265.38 g/mol, XLogP of 1.84, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-pyrrolidin-1-ylpiperidin-1-yl)-(1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 63049254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).