[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone

C14H22N4OS — CID 80553761

IUPAC[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
SMILESCc1ncsc1C(=O)N1CCC(N2CCC(N)CC2)C1
InChIInChI=1S/C14H22N4OS/c1-10-13(20-9-16-10)14(19)18-7-4-12(8-18)17-5-2-11(15)3-6-17/h9,11-12H,2-8,15H2,1H3
InChIKeyXFZQSNKIXJIJSC-UHFFFAOYSA-N
MW294.42 g/mol
LogP1.09
Rot. Bonds2

About [3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone

[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone (PubChem CID 80553761) has the molecular formula C14H22N4OS and a molecular weight of 294.42 g/mol. Its IUPAC name is [3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone.

Molecular Properties

Compound Name[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
PubChem CID80553761
Molecular FormulaC14H22N4OS
Molecular Weight294.42 g/mol
Exact Mass294.15
IUPAC Name[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
SMILESCc1ncsc1C(=O)N1CCC(N2CCC(N)CC2)C1
InChIInChI=1S/C14H22N4OS/c1-10-13(20-9-16-10)14(19)18-7-4-12(8-18)17-5-2-11(15)3-6-17/h9,11-12H,2-8,15H2,1H3
InChIKeyXFZQSNKIXJIJSC-UHFFFAOYSA-N
XLogP1.09
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(hydroxymethyl)piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 60957245
[4-(2-methylmorpholin-4-yl)piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 56818176
[3-(hydroxymethyl)piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 43589511
(6S)-1-methyl-4-(4-methyl-1,3-thiazole-5-carbonyl)-1,4-diazepane-6-carboxamide
CID 124956759
[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 80553795
(3-amino-4-methylpyrrolidin-1-yl)-(4-methyl-1,3-thiazol-5-yl)methanone
CID 103575811
[(3aS,4S,6aR)-4-amino-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 124617708
[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-(5-iodothiophen-3-yl)methanone
CID 80553930
[(3S)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 95737115
[3-[(4-methoxyphenyl)methyl]pyrrolidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 166621082
[(3S)-3-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 124964372
[(3R)-3-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 124964371

Frequently Asked Questions

What is the IUPAC name of [3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone?
The IUPAC name of [3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone (CID 80553761) is [3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone.
What is the SMILES notation for [3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone?
The canonical SMILES for [3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone is Cc1ncsc1C(=O)N1CCC(N2CCC(N)CC2)C1.
What is the InChIKey of [3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone?
The InChIKey is XFZQSNKIXJIJSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4OS/c1-10-13(20-9-16-10)14(19)18-7-4-12(8-18)17-5-2-11(15)3-6-17/h9,11-12H,2-8,15H2,1H3.
What are the key properties of [3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone?
[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone has a molecular weight of 294.42 g/mol, XLogP of 1.09, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone is sourced from PubChem (CID 80553761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).