3-ethyl-1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidine-3-carboxylic acid

C15H24N2O2S — CID 63137440

IUPAC3-ethyl-1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidine-3-carboxylic acid
SMILESCCCc1nc(CN2CCCC(CC)(C(=O)O)C2)cs1
InChIInChI=1S/C15H24N2O2S/c1-3-6-13-16-12(10-20-13)9-17-8-5-7-15(4-2,11-17)14(18)19/h10H,3-9,11H2,1-2H3,(H,18,19)
InChIKeyVXQCCXCSTTUEQT-UHFFFAOYSA-N
MW296.44 g/mol
LogP3.17
Rot. Bonds6

About 3-ethyl-1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidine-3-carboxylic acid

3-ethyl-1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidine-3-carboxylic acid (PubChem CID 63137440) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is 3-ethyl-1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name3-ethyl-1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidine-3-carboxylic acid
PubChem CID63137440
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Name3-ethyl-1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidine-3-carboxylic acid
SMILESCCCc1nc(CN2CCCC(CC)(C(=O)O)C2)cs1
InChIInChI=1S/C15H24N2O2S/c1-3-6-13-16-12(10-20-13)9-17-8-5-7-15(4-2,11-17)14(18)19/h10H,3-9,11H2,1-2H3,(H,18,19)
InChIKeyVXQCCXCSTTUEQT-UHFFFAOYSA-N
XLogP3.17
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidine-3-carboxylic acid
CID 43440901
3-ethyl-1-[(5-methyl-2-pyridinyl)methyl]piperidine-3-carboxylic acid
CID 81318651
3-ethyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperidine-3-carboxylic acid
CID 64773302
2-[3-methyl-1-[(2-propyl-1,3-thiazol-4-yl)methyl]azetidin-3-yl]oxyacetic acid
CID 102659481
1-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]-3-ethylpiperidine-3-carboxylic acid
CID 63137572
3-ethyl-1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)piperidine-3-carboxylic acid
CID 63137397
1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 63708193
2-[[1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]methylamino]acetic acid
CID 106814013
4-[(2-propyl-1,3-thiazol-4-yl)methyl]-1,4-thiazinane 1,1-dioxide
CID 71879328
(3R)-1-[[6-(dimethylamino)-3-pyridinyl]methyl]-3-ethylpiperidine-3-carboxylic acid
CID 97123703
1-[(2-propyl-1,3-thiazol-4-yl)methylamino]cyclobutane-1-carboxylic acid
CID 81168163
N,N-diethyl-1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide
CID 86870585

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidine-3-carboxylic acid?
The IUPAC name of 3-ethyl-1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidine-3-carboxylic acid (CID 63137440) is 3-ethyl-1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 3-ethyl-1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidine-3-carboxylic acid?
The canonical SMILES for 3-ethyl-1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidine-3-carboxylic acid is CCCc1nc(CN2CCCC(CC)(C(=O)O)C2)cs1.
What is the InChIKey of 3-ethyl-1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidine-3-carboxylic acid?
The InChIKey is VXQCCXCSTTUEQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-3-6-13-16-12(10-20-13)9-17-8-5-7-15(4-2,11-17)14(18)19/h10H,3-9,11H2,1-2H3,(H,18,19).
What are the key properties of 3-ethyl-1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidine-3-carboxylic acid?
3-ethyl-1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidine-3-carboxylic acid has a molecular weight of 296.44 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 63137440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).