(3S)-N-[(5-chlorothiophen-2-yl)methyl]-1-(2-methoxyethyl)-6-oxopiperidine-3-carboxamide

C14H19ClN2O3S — CID 42195716

IUPAC(3S)-N-[(5-chlorothiophen-2-yl)methyl]-1-(2-methoxyethyl)-6-oxopiperidine-3-carboxamide
SMILESCOCCN1C[C@@H](C(=O)NCc2ccc(Cl)s2)CCC1=O
InChIInChI=1S/C14H19ClN2O3S/c1-20-7-6-17-9-10(2-5-13(17)18)14(19)16-8-11-3-4-12(15)21-11/h3-4,10H,2,5-9H2,1H3,(H,16,19)/t10-/m0/s1
InChIKeyCFXJBPWHANVEFD-JTQLQIEISA-N
MW330.84 g/mol
LogP1.90
Rot. Bonds6

About (3S)-N-[(5-chlorothiophen-2-yl)methyl]-1-(2-methoxyethyl)-6-oxopiperidine-3-carboxamide

(3S)-N-[(5-chlorothiophen-2-yl)methyl]-1-(2-methoxyethyl)-6-oxopiperidine-3-carboxamide (PubChem CID 42195716) has the molecular formula C14H19ClN2O3S and a molecular weight of 330.84 g/mol. Its IUPAC name is (3S)-N-[(5-chlorothiophen-2-yl)methyl]-1-(2-methoxyethyl)-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[(5-chlorothiophen-2-yl)methyl]-1-(2-methoxyethyl)-6-oxopiperidine-3-carboxamide
PubChem CID42195716
Molecular FormulaC14H19ClN2O3S
Molecular Weight330.84 g/mol
Exact Mass330.08
IUPAC Name(3S)-N-[(5-chlorothiophen-2-yl)methyl]-1-(2-methoxyethyl)-6-oxopiperidine-3-carboxamide
SMILESCOCCN1C[C@@H](C(=O)NCc2ccc(Cl)s2)CCC1=O
InChIInChI=1S/C14H19ClN2O3S/c1-20-7-6-17-9-10(2-5-13(17)18)14(19)16-8-11-3-4-12(15)21-11/h3-4,10H,2,5-9H2,1H3,(H,16,19)/t10-/m0/s1
InChIKeyCFXJBPWHANVEFD-JTQLQIEISA-N
XLogP1.90
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.84
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(5-chlorothiophen-2-yl)methyl]-1-(2-methoxyethyl)-6-oxopiperidine-3-carboxamide?
The IUPAC name of (3S)-N-[(5-chlorothiophen-2-yl)methyl]-1-(2-methoxyethyl)-6-oxopiperidine-3-carboxamide (CID 42195716) is (3S)-N-[(5-chlorothiophen-2-yl)methyl]-1-(2-methoxyethyl)-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[(5-chlorothiophen-2-yl)methyl]-1-(2-methoxyethyl)-6-oxopiperidine-3-carboxamide?
The canonical SMILES for (3S)-N-[(5-chlorothiophen-2-yl)methyl]-1-(2-methoxyethyl)-6-oxopiperidine-3-carboxamide is COCCN1C[C@@H](C(=O)NCc2ccc(Cl)s2)CCC1=O.
What is the InChIKey of (3S)-N-[(5-chlorothiophen-2-yl)methyl]-1-(2-methoxyethyl)-6-oxopiperidine-3-carboxamide?
The InChIKey is CFXJBPWHANVEFD-JTQLQIEISA-N. The full InChI is InChI=1S/C14H19ClN2O3S/c1-20-7-6-17-9-10(2-5-13(17)18)14(19)16-8-11-3-4-12(15)21-11/h3-4,10H,2,5-9H2,1H3,(H,16,19)/t10-/m0/s1.
What are the key properties of (3S)-N-[(5-chlorothiophen-2-yl)methyl]-1-(2-methoxyethyl)-6-oxopiperidine-3-carboxamide?
(3S)-N-[(5-chlorothiophen-2-yl)methyl]-1-(2-methoxyethyl)-6-oxopiperidine-3-carboxamide has a molecular weight of 330.84 g/mol, XLogP of 1.90, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(5-chlorothiophen-2-yl)methyl]-1-(2-methoxyethyl)-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 42195716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).