3-[3-[4-(ethylaminomethyl)piperidin-1-yl]-3-oxopropyl]-4,5-dimethyl-1,3-thiazol-2-one

C16H27N3O2S — CID 119645145

IUPAC3-[3-[4-(ethylaminomethyl)piperidin-1-yl]-3-oxopropyl]-4,5-dimethyl-1,3-thiazol-2-one
SMILESCCNCC1CCN(C(=O)CCn2c(C)c(C)sc2=O)CC1
InChIInChI=1S/C16H27N3O2S/c1-4-17-11-14-5-8-18(9-6-14)15(20)7-10-19-12(2)13(3)22-16(19)21/h14,17H,4-11H2,1-3H3
InChIKeyBLJPHKFSTIDMQD-UHFFFAOYSA-N
MW325.48 g/mol
LogP1.76
Rot. Bonds6

About 3-[3-[4-(ethylaminomethyl)piperidin-1-yl]-3-oxopropyl]-4,5-dimethyl-1,3-thiazol-2-one

3-[3-[4-(ethylaminomethyl)piperidin-1-yl]-3-oxopropyl]-4,5-dimethyl-1,3-thiazol-2-one (PubChem CID 119645145) has the molecular formula C16H27N3O2S and a molecular weight of 325.48 g/mol. Its IUPAC name is 3-[3-[4-(ethylaminomethyl)piperidin-1-yl]-3-oxopropyl]-4,5-dimethyl-1,3-thiazol-2-one.

Molecular Properties

Compound Name3-[3-[4-(ethylaminomethyl)piperidin-1-yl]-3-oxopropyl]-4,5-dimethyl-1,3-thiazol-2-one
PubChem CID119645145
Molecular FormulaC16H27N3O2S
Molecular Weight325.48 g/mol
Exact Mass325.18
IUPAC Name3-[3-[4-(ethylaminomethyl)piperidin-1-yl]-3-oxopropyl]-4,5-dimethyl-1,3-thiazol-2-one
SMILESCCNCC1CCN(C(=O)CCn2c(C)c(C)sc2=O)CC1
InChIInChI=1S/C16H27N3O2S/c1-4-17-11-14-5-8-18(9-6-14)15(20)7-10-19-12(2)13(3)22-16(19)21/h14,17H,4-11H2,1-3H3
InChIKeyBLJPHKFSTIDMQD-UHFFFAOYSA-N
XLogP1.76
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.48
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,5-dimethylthiophen-3-yl)-4-[4-(ethylaminomethyl)piperidin-1-yl]butane-1,4-dione;hydrochloride
CID 119645963
4-(2,5-dimethylthiophen-3-yl)-1-[4-(ethylaminomethyl)piperidin-1-yl]butan-1-one
CID 119648458
1-[3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)propanoyl]-5-methylpiperidine-3-carboxylic acid
CID 122118205
3-[3-[2-(aminomethyl)pyrrolidin-1-yl]-3-oxopropyl]-4,5-dimethyl-1,3-thiazol-2-one;hydrochloride
CID 119631760
3-cyclopentyl-1-[4-(ethylaminomethyl)piperidin-1-yl]propan-1-one
CID 80551568
1-[4-(ethylaminomethyl)piperidin-1-yl]-4-methylpentan-1-one;hydrochloride
CID 119646474
1-[4-(ethylaminomethyl)piperidin-1-yl]-5,5-dimethylhexan-1-one
CID 119648376
3-amino-N-[[1-[3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)propanoyl]piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120579620
1-[4-(ethylaminomethyl)piperidin-1-yl]-4-(4-methylphenyl)butane-1,4-dione
CID 119646425
1-[4-(ethylaminomethyl)piperidin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one
CID 80552392
1-[4-(ethylaminomethyl)piperidin-1-yl]-4-(4-methylphenyl)butan-1-one
CID 119647608
1-[4-(ethylaminomethyl)piperidin-1-yl]-2-propan-2-yloxyethanone
CID 112701498

Frequently Asked Questions

What is the IUPAC name of 3-[3-[4-(ethylaminomethyl)piperidin-1-yl]-3-oxopropyl]-4,5-dimethyl-1,3-thiazol-2-one?
The IUPAC name of 3-[3-[4-(ethylaminomethyl)piperidin-1-yl]-3-oxopropyl]-4,5-dimethyl-1,3-thiazol-2-one (CID 119645145) is 3-[3-[4-(ethylaminomethyl)piperidin-1-yl]-3-oxopropyl]-4,5-dimethyl-1,3-thiazol-2-one.
What is the SMILES notation for 3-[3-[4-(ethylaminomethyl)piperidin-1-yl]-3-oxopropyl]-4,5-dimethyl-1,3-thiazol-2-one?
The canonical SMILES for 3-[3-[4-(ethylaminomethyl)piperidin-1-yl]-3-oxopropyl]-4,5-dimethyl-1,3-thiazol-2-one is CCNCC1CCN(C(=O)CCn2c(C)c(C)sc2=O)CC1.
What is the InChIKey of 3-[3-[4-(ethylaminomethyl)piperidin-1-yl]-3-oxopropyl]-4,5-dimethyl-1,3-thiazol-2-one?
The InChIKey is BLJPHKFSTIDMQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2S/c1-4-17-11-14-5-8-18(9-6-14)15(20)7-10-19-12(2)13(3)22-16(19)21/h14,17H,4-11H2,1-3H3.
What are the key properties of 3-[3-[4-(ethylaminomethyl)piperidin-1-yl]-3-oxopropyl]-4,5-dimethyl-1,3-thiazol-2-one?
3-[3-[4-(ethylaminomethyl)piperidin-1-yl]-3-oxopropyl]-4,5-dimethyl-1,3-thiazol-2-one has a molecular weight of 325.48 g/mol, XLogP of 1.76, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[4-(ethylaminomethyl)piperidin-1-yl]-3-oxopropyl]-4,5-dimethyl-1,3-thiazol-2-one is sourced from PubChem (CID 119645145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).