3-(methoxymethyl)-1-[1-(1,3-thiazol-2-yl)ethylcarbamoyl]piperidine-3-carboxylic acid

C14H21N3O4S — CID 155955390

IUPAC3-(methoxymethyl)-1-[1-(1,3-thiazol-2-yl)ethylcarbamoyl]piperidine-3-carboxylic acid
SMILESCOCC1(C(=O)O)CCCN(C(=O)NC(C)c2nccs2)C1
InChIInChI=1S/C14H21N3O4S/c1-10(11-15-5-7-22-11)16-13(20)17-6-3-4-14(8-17,9-21-2)12(18)19/h5,7,10H,3-4,6,8-9H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyLRCBZNHONQCJDU-UHFFFAOYSA-N
MW327.41 g/mol
LogP1.73
Rot. Bonds5

About 3-(methoxymethyl)-1-[1-(1,3-thiazol-2-yl)ethylcarbamoyl]piperidine-3-carboxylic acid

3-(methoxymethyl)-1-[1-(1,3-thiazol-2-yl)ethylcarbamoyl]piperidine-3-carboxylic acid (PubChem CID 155955390) has the molecular formula C14H21N3O4S and a molecular weight of 327.41 g/mol. Its IUPAC name is 3-(methoxymethyl)-1-[1-(1,3-thiazol-2-yl)ethylcarbamoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name3-(methoxymethyl)-1-[1-(1,3-thiazol-2-yl)ethylcarbamoyl]piperidine-3-carboxylic acid
PubChem CID155955390
Molecular FormulaC14H21N3O4S
Molecular Weight327.41 g/mol
Exact Mass327.13
IUPAC Name3-(methoxymethyl)-1-[1-(1,3-thiazol-2-yl)ethylcarbamoyl]piperidine-3-carboxylic acid
SMILESCOCC1(C(=O)O)CCCN(C(=O)NC(C)c2nccs2)C1
InChIInChI=1S/C14H21N3O4S/c1-10(11-15-5-7-22-11)16-13(20)17-6-3-4-14(8-17,9-21-2)12(18)19/h5,7,10H,3-4,6,8-9H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyLRCBZNHONQCJDU-UHFFFAOYSA-N
XLogP1.73
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethyl-1-[1-(1,3-thiazol-2-yl)ethylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 83070624
(3S)-3-(ethoxymethyl)-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]piperidine-1-carboxamide
CID 95905079
3-ethyl-1-[1-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]piperidine-3-carboxylic acid
CID 106283395
(3R)-3-(2-methoxyethyl)-1-(1,3-thiazol-2-ylmethyl)piperidine-3-carboxylic acid
CID 97115195
1-pyrrolidin-1-yl-3-[1-(1,3-thiazol-2-yl)ethylamino]propan-1-one
CID 64988779
1-piperidin-1-yl-3-[1-(1,3-thiazol-2-yl)ethylamino]propan-1-one
CID 112550351
3-(methoxymethyl)-1-(2-methylpropanoyl)pyrrolidine-3-carboxylic acid
CID 172548571
2-hydroxy-N-[1-(1,3-thiazol-2-yl)ethyl]acetamide
CID 130693463
N-[1-(1,3-thiazol-2-yl)propyl]piperidine-1-carboxamide
CID 115642007
methyl 2-oxo-2-[1-(1,3-thiazol-2-yl)ethylamino]acetate
CID 112617326
1-[(1-ethoxy-1-oxopropan-2-yl)carbamoyl]-3-ethylpiperidine-3-carboxylic acid
CID 63136901
2-[1-(sulfanylmethyl)cyclopropyl]-N-[1-(1,3-thiazol-2-yl)ethyl]acetamide
CID 107030822

Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-1-[1-(1,3-thiazol-2-yl)ethylcarbamoyl]piperidine-3-carboxylic acid?
The IUPAC name of 3-(methoxymethyl)-1-[1-(1,3-thiazol-2-yl)ethylcarbamoyl]piperidine-3-carboxylic acid (CID 155955390) is 3-(methoxymethyl)-1-[1-(1,3-thiazol-2-yl)ethylcarbamoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 3-(methoxymethyl)-1-[1-(1,3-thiazol-2-yl)ethylcarbamoyl]piperidine-3-carboxylic acid?
The canonical SMILES for 3-(methoxymethyl)-1-[1-(1,3-thiazol-2-yl)ethylcarbamoyl]piperidine-3-carboxylic acid is COCC1(C(=O)O)CCCN(C(=O)NC(C)c2nccs2)C1.
What is the InChIKey of 3-(methoxymethyl)-1-[1-(1,3-thiazol-2-yl)ethylcarbamoyl]piperidine-3-carboxylic acid?
The InChIKey is LRCBZNHONQCJDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O4S/c1-10(11-15-5-7-22-11)16-13(20)17-6-3-4-14(8-17,9-21-2)12(18)19/h5,7,10H,3-4,6,8-9H2,1-2H3,(H,16,20)(H,18,19).
What are the key properties of 3-(methoxymethyl)-1-[1-(1,3-thiazol-2-yl)ethylcarbamoyl]piperidine-3-carboxylic acid?
3-(methoxymethyl)-1-[1-(1,3-thiazol-2-yl)ethylcarbamoyl]piperidine-3-carboxylic acid has a molecular weight of 327.41 g/mol, XLogP of 1.73, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-1-[1-(1,3-thiazol-2-yl)ethylcarbamoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 155955390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).