3-(3-phenylpropyl)-1-(1,3-thiazol-2-yl)piperidine-3-carboxylic acid

C18H22N2O2S — CID 56865026

IUPAC3-(3-phenylpropyl)-1-(1,3-thiazol-2-yl)piperidine-3-carboxylic acid
SMILESO=C(O)C1(CCCc2ccccc2)CCCN(c2nccs2)C1
InChIInChI=1S/C18H22N2O2S/c21-16(22)18(9-4-8-15-6-2-1-3-7-15)10-5-12-20(14-18)17-19-11-13-23-17/h1-3,6-7,11,13H,4-5,8-10,12,14H2,(H,21,22)
InChIKeyMCFKMCQWXWWXIK-UHFFFAOYSA-N
MW330.45 g/mol
LogP3.84
Rot. Bonds6

About 3-(3-phenylpropyl)-1-(1,3-thiazol-2-yl)piperidine-3-carboxylic acid

3-(3-phenylpropyl)-1-(1,3-thiazol-2-yl)piperidine-3-carboxylic acid (PubChem CID 56865026) has the molecular formula C18H22N2O2S and a molecular weight of 330.45 g/mol. Its IUPAC name is 3-(3-phenylpropyl)-1-(1,3-thiazol-2-yl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name3-(3-phenylpropyl)-1-(1,3-thiazol-2-yl)piperidine-3-carboxylic acid
PubChem CID56865026
Molecular FormulaC18H22N2O2S
Molecular Weight330.45 g/mol
Exact Mass330.14
IUPAC Name3-(3-phenylpropyl)-1-(1,3-thiazol-2-yl)piperidine-3-carboxylic acid
SMILESO=C(O)C1(CCCc2ccccc2)CCCN(c2nccs2)C1
InChIInChI=1S/C18H22N2O2S/c21-16(22)18(9-4-8-15-6-2-1-3-7-15)10-5-12-20(14-18)17-19-11-13-23-17/h1-3,6-7,11,13H,4-5,8-10,12,14H2,(H,21,22)
InChIKeyMCFKMCQWXWWXIK-UHFFFAOYSA-N
XLogP3.84
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-3-(3-phenylpropyl)-1-(pyridin-4-ylmethyl)piperidine-3-carboxylic acid
CID 95402837
ethyl 3-(3-phenylpropyl)-1-(1,3-thiazol-2-ylmethyl)piperidine-3-carboxylate
CID 45242661
(3S)-3-(2-phenylethyl)-1-quinoxalin-2-ylpiperidine-3-carboxylic acid
CID 95550938
(3S)-1-(2-methylsulfanylpyrimidin-4-yl)-3-(2-phenylethyl)piperidine-3-carboxylic acid
CID 95435764
(3S)-1-propan-2-yl-3-(3-pyridin-3-ylpropyl)piperidine-3-carboxylic acid
CID 95804763
1-(4-phenylbutyl)cyclobutane-1-carboxylic acid
CID 114334159
4-phenyl-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]butanamide
CID 90597351
1-(4-phenylbutyl)cyclopropane-1-carboxylic acid
CID 114334160
2-[4-[1-(2-phenylethyl)piperidin-4-yl]piperidin-1-yl]-1,3-thiazole
CID 155501199
1-(6-aminopyrimidin-4-yl)-4-(3-phenylpropyl)piperidine-4-carboxylic acid
CID 56874329
1-(2-methylpyrimidin-4-yl)-3-(3-pyridin-3-ylpropyl)piperidine-3-carboxamide
CID 110258311
[(3S)-3-(cyclopropylmethyl)-1-(1,3-thiazol-2-yl)piperidin-3-yl]methanol
CID 97150514

Frequently Asked Questions

What is the IUPAC name of 3-(3-phenylpropyl)-1-(1,3-thiazol-2-yl)piperidine-3-carboxylic acid?
The IUPAC name of 3-(3-phenylpropyl)-1-(1,3-thiazol-2-yl)piperidine-3-carboxylic acid (CID 56865026) is 3-(3-phenylpropyl)-1-(1,3-thiazol-2-yl)piperidine-3-carboxylic acid.
What is the SMILES notation for 3-(3-phenylpropyl)-1-(1,3-thiazol-2-yl)piperidine-3-carboxylic acid?
The canonical SMILES for 3-(3-phenylpropyl)-1-(1,3-thiazol-2-yl)piperidine-3-carboxylic acid is O=C(O)C1(CCCc2ccccc2)CCCN(c2nccs2)C1.
What is the InChIKey of 3-(3-phenylpropyl)-1-(1,3-thiazol-2-yl)piperidine-3-carboxylic acid?
The InChIKey is MCFKMCQWXWWXIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2S/c21-16(22)18(9-4-8-15-6-2-1-3-7-15)10-5-12-20(14-18)17-19-11-13-23-17/h1-3,6-7,11,13H,4-5,8-10,12,14H2,(H,21,22).
What are the key properties of 3-(3-phenylpropyl)-1-(1,3-thiazol-2-yl)piperidine-3-carboxylic acid?
3-(3-phenylpropyl)-1-(1,3-thiazol-2-yl)piperidine-3-carboxylic acid has a molecular weight of 330.45 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-phenylpropyl)-1-(1,3-thiazol-2-yl)piperidine-3-carboxylic acid is sourced from PubChem (CID 56865026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).