1-[[2-[cyclopropyl(methyl)amino]-1,3-thiazol-4-yl]methyl]-4-(methoxymethyl)piperidine-4-carboxylic acid

C16H25N3O3S — CID 154763103

IUPAC1-[[2-[cyclopropyl(methyl)amino]-1,3-thiazol-4-yl]methyl]-4-(methoxymethyl)piperidine-4-carboxylic acid
SMILESCOCC1(C(=O)O)CCN(Cc2csc(N(C)C3CC3)n2)CC1
InChIInChI=1S/C16H25N3O3S/c1-18(13-3-4-13)15-17-12(10-23-15)9-19-7-5-16(6-8-19,11-22-2)14(20)21/h10,13H,3-9,11H2,1-2H3,(H,20,21)
InChIKeyWLZMSIURYGSMPZ-UHFFFAOYSA-N
MW339.46 g/mol
LogP2.05
Rot. Bonds7

About 1-[[2-[cyclopropyl(methyl)amino]-1,3-thiazol-4-yl]methyl]-4-(methoxymethyl)piperidine-4-carboxylic acid

1-[[2-[cyclopropyl(methyl)amino]-1,3-thiazol-4-yl]methyl]-4-(methoxymethyl)piperidine-4-carboxylic acid (PubChem CID 154763103) has the molecular formula C16H25N3O3S and a molecular weight of 339.46 g/mol. Its IUPAC name is 1-[[2-[cyclopropyl(methyl)amino]-1,3-thiazol-4-yl]methyl]-4-(methoxymethyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[[2-[cyclopropyl(methyl)amino]-1,3-thiazol-4-yl]methyl]-4-(methoxymethyl)piperidine-4-carboxylic acid
PubChem CID154763103
Molecular FormulaC16H25N3O3S
Molecular Weight339.46 g/mol
Exact Mass339.16
IUPAC Name1-[[2-[cyclopropyl(methyl)amino]-1,3-thiazol-4-yl]methyl]-4-(methoxymethyl)piperidine-4-carboxylic acid
SMILESCOCC1(C(=O)O)CCN(Cc2csc(N(C)C3CC3)n2)CC1
InChIInChI=1S/C16H25N3O3S/c1-18(13-3-4-13)15-17-12(10-23-15)9-19-7-5-16(6-8-19,11-22-2)14(20)21/h10,13H,3-9,11H2,1-2H3,(H,20,21)
InChIKeyWLZMSIURYGSMPZ-UHFFFAOYSA-N
XLogP2.05
TPSA65.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-[cyclopropyl(methyl)amino]-1,3-thiazol-4-yl]methyl]-4-(methoxymethyl)piperidine-4-carboxylic acid?
The IUPAC name of 1-[[2-[cyclopropyl(methyl)amino]-1,3-thiazol-4-yl]methyl]-4-(methoxymethyl)piperidine-4-carboxylic acid (CID 154763103) is 1-[[2-[cyclopropyl(methyl)amino]-1,3-thiazol-4-yl]methyl]-4-(methoxymethyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[[2-[cyclopropyl(methyl)amino]-1,3-thiazol-4-yl]methyl]-4-(methoxymethyl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-[[2-[cyclopropyl(methyl)amino]-1,3-thiazol-4-yl]methyl]-4-(methoxymethyl)piperidine-4-carboxylic acid is COCC1(C(=O)O)CCN(Cc2csc(N(C)C3CC3)n2)CC1.
What is the InChIKey of 1-[[2-[cyclopropyl(methyl)amino]-1,3-thiazol-4-yl]methyl]-4-(methoxymethyl)piperidine-4-carboxylic acid?
The InChIKey is WLZMSIURYGSMPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3S/c1-18(13-3-4-13)15-17-12(10-23-15)9-19-7-5-16(6-8-19,11-22-2)14(20)21/h10,13H,3-9,11H2,1-2H3,(H,20,21).
What are the key properties of 1-[[2-[cyclopropyl(methyl)amino]-1,3-thiazol-4-yl]methyl]-4-(methoxymethyl)piperidine-4-carboxylic acid?
1-[[2-[cyclopropyl(methyl)amino]-1,3-thiazol-4-yl]methyl]-4-(methoxymethyl)piperidine-4-carboxylic acid has a molecular weight of 339.46 g/mol, XLogP of 2.05, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-[cyclopropyl(methyl)amino]-1,3-thiazol-4-yl]methyl]-4-(methoxymethyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 154763103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).