4-[2-[(5-chlorothiophene-2-carbonyl)amino]-2-cyclopropylethyl]piperidine-1-carboxylic acid

C16H21ClN2O3S — CID 137373160

IUPAC4-[2-[(5-chlorothiophene-2-carbonyl)amino]-2-cyclopropylethyl]piperidine-1-carboxylic acid
SMILESO=C(NC(CC1CCN(C(=O)O)CC1)C1CC1)c1ccc(Cl)s1
InChIInChI=1S/C16H21ClN2O3S/c17-14-4-3-13(23-14)15(20)18-12(11-1-2-11)9-10-5-7-19(8-6-10)16(21)22/h3-4,10-12H,1-2,5-9H2,(H,18,20)(H,21,22)
InChIKeyVKPWTLAPZGUQCA-UHFFFAOYSA-N
MW356.88 g/mol
LogP3.69
Rot. Bonds5

About 4-[2-[(5-chlorothiophene-2-carbonyl)amino]-2-cyclopropylethyl]piperidine-1-carboxylic acid

4-[2-[(5-chlorothiophene-2-carbonyl)amino]-2-cyclopropylethyl]piperidine-1-carboxylic acid (PubChem CID 137373160) has the molecular formula C16H21ClN2O3S and a molecular weight of 356.88 g/mol. Its IUPAC name is 4-[2-[(5-chlorothiophene-2-carbonyl)amino]-2-cyclopropylethyl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[2-[(5-chlorothiophene-2-carbonyl)amino]-2-cyclopropylethyl]piperidine-1-carboxylic acid
PubChem CID137373160
Molecular FormulaC16H21ClN2O3S
Molecular Weight356.88 g/mol
Exact Mass356.10
IUPAC Name4-[2-[(5-chlorothiophene-2-carbonyl)amino]-2-cyclopropylethyl]piperidine-1-carboxylic acid
SMILESO=C(NC(CC1CCN(C(=O)O)CC1)C1CC1)c1ccc(Cl)s1
InChIInChI=1S/C16H21ClN2O3S/c17-14-4-3-13(23-14)15(20)18-12(11-1-2-11)9-10-5-7-19(8-6-10)16(21)22/h3-4,10-12H,1-2,5-9H2,(H,18,20)(H,21,22)
InChIKeyVKPWTLAPZGUQCA-UHFFFAOYSA-N
XLogP3.69
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.88
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-cyclopropyl-2-[(5-methylthiophene-2-carbonyl)amino]ethyl]piperidine-1-carboxylic acid
CID 137373078
4-[1-[(5-chlorothiophene-2-carbonyl)amino]ethyl]piperidine-1-carboxylic acid
CID 137372825
N-(2-amino-1-cyclopropylethyl)-5-chlorothiophene-2-carboxamide;hydrochloride
CID 119617339
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
tert-butyl 4-[2-[(5-chlorothiophene-2-carbonyl)amino]propyl]piperidine-1-carboxylate
CID 174994554
tert-butyl 4-[2-[(5-chlorothiophene-2-carbonyl)amino]-4-methylpentyl]piperidine-1-carboxylate
CID 137373033
5-chloro-N-(1-cyclohexyl-3-methylbutyl)thiophene-2-carboxamide
CID 161296581
4-[(2S)-2-[(5-chloro-2-pyridinyl)amino]-2-cyclopropylethyl]piperidine-1-carboxylic acid
CID 174991980
tert-butyl 4-[2-[(5-chlorothiophene-2-carbonyl)amino]-3-ethoxy-3-oxopropyl]piperidine-1-carboxylate
CID 137373257
5-chloro-N-[(1R)-3-methyl-1-piperidin-4-ylbutyl]thiophene-2-carboxamide
CID 137372821
5-chloro-N-[(1S)-3-methyl-1-piperidin-4-ylbutyl]thiophene-2-carboxamide
CID 137372866

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(5-chlorothiophene-2-carbonyl)amino]-2-cyclopropylethyl]piperidine-1-carboxylic acid?
The IUPAC name of 4-[2-[(5-chlorothiophene-2-carbonyl)amino]-2-cyclopropylethyl]piperidine-1-carboxylic acid (CID 137373160) is 4-[2-[(5-chlorothiophene-2-carbonyl)amino]-2-cyclopropylethyl]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[2-[(5-chlorothiophene-2-carbonyl)amino]-2-cyclopropylethyl]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[2-[(5-chlorothiophene-2-carbonyl)amino]-2-cyclopropylethyl]piperidine-1-carboxylic acid is O=C(NC(CC1CCN(C(=O)O)CC1)C1CC1)c1ccc(Cl)s1.
What is the InChIKey of 4-[2-[(5-chlorothiophene-2-carbonyl)amino]-2-cyclopropylethyl]piperidine-1-carboxylic acid?
The InChIKey is VKPWTLAPZGUQCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O3S/c17-14-4-3-13(23-14)15(20)18-12(11-1-2-11)9-10-5-7-19(8-6-10)16(21)22/h3-4,10-12H,1-2,5-9H2,(H,18,20)(H,21,22).
What are the key properties of 4-[2-[(5-chlorothiophene-2-carbonyl)amino]-2-cyclopropylethyl]piperidine-1-carboxylic acid?
4-[2-[(5-chlorothiophene-2-carbonyl)amino]-2-cyclopropylethyl]piperidine-1-carboxylic acid has a molecular weight of 356.88 g/mol, XLogP of 3.69, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(5-chlorothiophene-2-carbonyl)amino]-2-cyclopropylethyl]piperidine-1-carboxylic acid is sourced from PubChem (CID 137373160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).