1-(3-aminopiperidin-1-yl)-4-(2-methyl-1,3-thiazol-4-yl)butan-1-one

C13H21N3OS — CID 119378285

IUPAC1-(3-aminopiperidin-1-yl)-4-(2-methyl-1,3-thiazol-4-yl)butan-1-one
SMILESCc1nc(CCCC(=O)N2CCCC(N)C2)cs1
InChIInChI=1S/C13H21N3OS/c1-10-15-12(9-18-10)5-2-6-13(17)16-7-3-4-11(14)8-16/h9,11H,2-8,14H2,1H3
InChIKeyJZUXOYGEGAOWHK-UHFFFAOYSA-N
MW267.40 g/mol
LogP1.72
Rot. Bonds4

About 1-(3-aminopiperidin-1-yl)-4-(2-methyl-1,3-thiazol-4-yl)butan-1-one

1-(3-aminopiperidin-1-yl)-4-(2-methyl-1,3-thiazol-4-yl)butan-1-one (PubChem CID 119378285) has the molecular formula C13H21N3OS and a molecular weight of 267.40 g/mol. Its IUPAC name is 1-(3-aminopiperidin-1-yl)-4-(2-methyl-1,3-thiazol-4-yl)butan-1-one.

Molecular Properties

Compound Name1-(3-aminopiperidin-1-yl)-4-(2-methyl-1,3-thiazol-4-yl)butan-1-one
PubChem CID119378285
Molecular FormulaC13H21N3OS
Molecular Weight267.40 g/mol
Exact Mass267.14
IUPAC Name1-(3-aminopiperidin-1-yl)-4-(2-methyl-1,3-thiazol-4-yl)butan-1-one
SMILESCc1nc(CCCC(=O)N2CCCC(N)C2)cs1
InChIInChI=1S/C13H21N3OS/c1-10-15-12(9-18-10)5-2-6-13(17)16-7-3-4-11(14)8-16/h9,11H,2-8,14H2,1H3
InChIKeyJZUXOYGEGAOWHK-UHFFFAOYSA-N
XLogP1.72
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.40
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1R,6S,7S)-3-[4-(2-methyl-1,3-thiazol-4-yl)butanoyl]-3-azabicyclo[4.1.0]heptane-7-carboxylic acid
CID 166254800
ethyl 1-[3-(2-methyl-1,3-thiazol-4-yl)propanoyl]piperidine-3-carboxylate
CID 110678658
1-[(3S)-3-(4-methoxyphenyl)pyrrolidin-1-yl]-4-(2-methyl-1,3-thiazol-4-yl)butan-1-one
CID 96529429
1-(3,5-dimethylpiperazin-1-yl)-4-(2-methyl-1,3-thiazol-4-yl)butan-1-one
CID 119564329
1-(3-aminopiperidin-1-yl)-4-(4-methylphenyl)butan-1-one
CID 115277247
1-[(2S,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-4-(2-methyl-1,3-thiazol-4-yl)butan-1-one
CID 124691638
[(3S)-3-aminopiperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 129371396
1-[4-(3-aminopropoxy)piperidin-1-yl]-4-(2-methyl-1,3-thiazol-4-yl)butan-1-one
CID 119662335
2-[4-[4-(2-methyl-1,3-thiazol-4-yl)butanoyl]morpholin-2-yl]acetic acid
CID 120527590
1-[4-(2-methyl-1,3-thiazol-4-yl)butanoyl]piperidine-2-carboxylic acid
CID 102553994
(3aS,6aR)-2-[4-(2-methyl-1,3-thiazol-4-yl)butanoyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 120682933
3-[1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidin-4-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 91842742

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminopiperidin-1-yl)-4-(2-methyl-1,3-thiazol-4-yl)butan-1-one?
The IUPAC name of 1-(3-aminopiperidin-1-yl)-4-(2-methyl-1,3-thiazol-4-yl)butan-1-one (CID 119378285) is 1-(3-aminopiperidin-1-yl)-4-(2-methyl-1,3-thiazol-4-yl)butan-1-one.
What is the SMILES notation for 1-(3-aminopiperidin-1-yl)-4-(2-methyl-1,3-thiazol-4-yl)butan-1-one?
The canonical SMILES for 1-(3-aminopiperidin-1-yl)-4-(2-methyl-1,3-thiazol-4-yl)butan-1-one is Cc1nc(CCCC(=O)N2CCCC(N)C2)cs1.
What is the InChIKey of 1-(3-aminopiperidin-1-yl)-4-(2-methyl-1,3-thiazol-4-yl)butan-1-one?
The InChIKey is JZUXOYGEGAOWHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3OS/c1-10-15-12(9-18-10)5-2-6-13(17)16-7-3-4-11(14)8-16/h9,11H,2-8,14H2,1H3.
What are the key properties of 1-(3-aminopiperidin-1-yl)-4-(2-methyl-1,3-thiazol-4-yl)butan-1-one?
1-(3-aminopiperidin-1-yl)-4-(2-methyl-1,3-thiazol-4-yl)butan-1-one has a molecular weight of 267.40 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminopiperidin-1-yl)-4-(2-methyl-1,3-thiazol-4-yl)butan-1-one is sourced from PubChem (CID 119378285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).