4-[2-cyclopropyl-2-[(5-methylthiophene-2-carbonyl)amino]ethyl]piperidine-1-carboxylic acid

C17H24N2O3S — CID 137373078

IUPAC4-[2-cyclopropyl-2-[(5-methylthiophene-2-carbonyl)amino]ethyl]piperidine-1-carboxylic acid
SMILESCc1ccc(C(=O)NC(CC2CCN(C(=O)O)CC2)C2CC2)s1
InChIInChI=1S/C17H24N2O3S/c1-11-2-5-15(23-11)16(20)18-14(13-3-4-13)10-12-6-8-19(9-7-12)17(21)22/h2,5,12-14H,3-4,6-10H2,1H3,(H,18,20)(H,21,22)
InChIKeyVLXXEXFVMFOXBJ-UHFFFAOYSA-N
MW336.46 g/mol
LogP3.35
Rot. Bonds5

About 4-[2-cyclopropyl-2-[(5-methylthiophene-2-carbonyl)amino]ethyl]piperidine-1-carboxylic acid

4-[2-cyclopropyl-2-[(5-methylthiophene-2-carbonyl)amino]ethyl]piperidine-1-carboxylic acid (PubChem CID 137373078) has the molecular formula C17H24N2O3S and a molecular weight of 336.46 g/mol. Its IUPAC name is 4-[2-cyclopropyl-2-[(5-methylthiophene-2-carbonyl)amino]ethyl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[2-cyclopropyl-2-[(5-methylthiophene-2-carbonyl)amino]ethyl]piperidine-1-carboxylic acid
PubChem CID137373078
Molecular FormulaC17H24N2O3S
Molecular Weight336.46 g/mol
Exact Mass336.15
IUPAC Name4-[2-cyclopropyl-2-[(5-methylthiophene-2-carbonyl)amino]ethyl]piperidine-1-carboxylic acid
SMILESCc1ccc(C(=O)NC(CC2CCN(C(=O)O)CC2)C2CC2)s1
InChIInChI=1S/C17H24N2O3S/c1-11-2-5-15(23-11)16(20)18-14(13-3-4-13)10-12-6-8-19(9-7-12)17(21)22/h2,5,12-14H,3-4,6-10H2,1H3,(H,18,20)(H,21,22)
InChIKeyVLXXEXFVMFOXBJ-UHFFFAOYSA-N
XLogP3.35
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-[(5-chlorothiophene-2-carbonyl)amino]-2-cyclopropylethyl]piperidine-1-carboxylic acid
CID 137373160
3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-2-[(5-methylthiophene-2-carbonyl)amino]propanoic acid
CID 142509398
(2-methyl-3-pyridinyl) 4-[(1R)-1-[(5-methylthiophene-2-carbonyl)amino]propyl]piperidine-1-carboxylate
CID 142509340
4-[1-[(5-chlorothiophene-2-carbonyl)amino]ethyl]piperidine-1-carboxylic acid
CID 137372825
N-[2-[1-(2,2-difluoro-2-pyridin-2-ylacetyl)piperidin-4-yl]-1-phenylethyl]-5-methylthiophene-2-carboxamide
CID 137373168
(2,4-dimethyl-3-pyridinyl) 4-[(1R)-1-[(5-methylthiophene-2-carbonyl)amino]propyl]piperidine-1-carboxylate;molecular hydrogen
CID 142509334
2-cyclopropyl-2-[[2-[(5-methylthiophene-2-carbonyl)amino]acetyl]amino]acetic acid
CID 62694994
4-[(2S)-2-amino-2-cyclopropylethyl]piperidine-1-carboxylic acid
CID 137373252
4-[(2S)-2-[(5-chloro-2-pyridinyl)amino]-2-cyclopropylethyl]piperidine-1-carboxylic acid
CID 174991980
4-[2-[(5-chlorothiophene-2-carbonyl)amino]-2-(6-methoxy-3-pyridinyl)ethyl]piperidine-1-carboxylic acid
CID 137373249
4-[(2S)-2-[(5-chlorothiophene-2-carbonyl)amino]-2-(6-methoxy-3-pyridinyl)ethyl]piperidine-1-carboxylic acid
CID 137373245
(2,3-dimethyl-4-pyridinyl) 4-[(1R)-1-[(5-methylthiophene-2-carbonyl)amino]ethyl]piperidine-1-carboxylate
CID 137385725

Frequently Asked Questions

What is the IUPAC name of 4-[2-cyclopropyl-2-[(5-methylthiophene-2-carbonyl)amino]ethyl]piperidine-1-carboxylic acid?
The IUPAC name of 4-[2-cyclopropyl-2-[(5-methylthiophene-2-carbonyl)amino]ethyl]piperidine-1-carboxylic acid (CID 137373078) is 4-[2-cyclopropyl-2-[(5-methylthiophene-2-carbonyl)amino]ethyl]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[2-cyclopropyl-2-[(5-methylthiophene-2-carbonyl)amino]ethyl]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[2-cyclopropyl-2-[(5-methylthiophene-2-carbonyl)amino]ethyl]piperidine-1-carboxylic acid is Cc1ccc(C(=O)NC(CC2CCN(C(=O)O)CC2)C2CC2)s1.
What is the InChIKey of 4-[2-cyclopropyl-2-[(5-methylthiophene-2-carbonyl)amino]ethyl]piperidine-1-carboxylic acid?
The InChIKey is VLXXEXFVMFOXBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3S/c1-11-2-5-15(23-11)16(20)18-14(13-3-4-13)10-12-6-8-19(9-7-12)17(21)22/h2,5,12-14H,3-4,6-10H2,1H3,(H,18,20)(H,21,22).
What are the key properties of 4-[2-cyclopropyl-2-[(5-methylthiophene-2-carbonyl)amino]ethyl]piperidine-1-carboxylic acid?
4-[2-cyclopropyl-2-[(5-methylthiophene-2-carbonyl)amino]ethyl]piperidine-1-carboxylic acid has a molecular weight of 336.46 g/mol, XLogP of 3.35, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-cyclopropyl-2-[(5-methylthiophene-2-carbonyl)amino]ethyl]piperidine-1-carboxylic acid is sourced from PubChem (CID 137373078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).