1-[2-oxo-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]ethyl]piperidin-1-ium-4-carboxamide

C19H24N3O2S+ — CID 8557506

IUPAC1-[2-oxo-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]ethyl]piperidin-1-ium-4-carboxamide
SMILESNC(=O)C1CC[NH+](CC(=O)N[C@@H](c2ccccc2)c2cccs2)CC1
InChIInChI=1S/C19H23N3O2S/c20-19(24)15-8-10-22(11-9-15)13-17(23)21-18(16-7-4-12-25-16)14-5-2-1-3-6-14/h1-7,12,15,18H,8-11,13H2,(H2,20,24)(H,21,23)/p+1/t18-/m0/s1
InChIKeyVNOFVSOAYLNQNN-SFHVURJKSA-O
MW358.49 g/mol
LogP0.73
Rot. Bonds6

About 1-[2-oxo-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]ethyl]piperidin-1-ium-4-carboxamide

1-[2-oxo-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]ethyl]piperidin-1-ium-4-carboxamide (PubChem CID 8557506) has the molecular formula C19H24N3O2S+ and a molecular weight of 358.49 g/mol. Its IUPAC name is 1-[2-oxo-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]ethyl]piperidin-1-ium-4-carboxamide.

Molecular Properties

Compound Name1-[2-oxo-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]ethyl]piperidin-1-ium-4-carboxamide
PubChem CID8557506
Molecular FormulaC19H24N3O2S+
Molecular Weight358.49 g/mol
Exact Mass358.16
IUPAC Name1-[2-oxo-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]ethyl]piperidin-1-ium-4-carboxamide
SMILESNC(=O)C1CC[NH+](CC(=O)N[C@@H](c2ccccc2)c2cccs2)CC1
InChIInChI=1S/C19H23N3O2S/c20-19(24)15-8-10-22(11-9-15)13-17(23)21-18(16-7-4-12-25-16)14-5-2-1-3-6-14/h1-7,12,15,18H,8-11,13H2,(H2,20,24)(H,21,23)/p+1/t18-/m0/s1
InChIKeyVNOFVSOAYLNQNN-SFHVURJKSA-O
XLogP0.73
TPSA76.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 50.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-[2-oxo-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]ethyl]piperidin-1-ium-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S)-1-[2-oxo-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]ethyl]piperidin-1-ium-3-carboxamide
CID 8546477
1-[2-oxo-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]ethyl]piperidine-4-carboxamide
CID 8557507
N-[(R)-phenyl(thiophen-2-yl)methyl]-2-[4-(thiophen-2-ylmethyl)piperazine-1,4-diium-1-yl]acetamide
CID 8834872
2-(3-oxopiperazin-1-ium-1-yl)-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide
CID 8549244
N-[(R)-phenyl(thiophen-2-yl)methyl]-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]acetamide
CID 11929318
2-(azocan-1-ium-1-yl)-N-[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide
CID 8680042
2-cyclohexyl-N-[phenyl(thiophen-2-yl)methyl]acetamide
CID 46565052
N-[(S)-phenyl(thiophen-2-yl)methyl]-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]acetamide
CID 8866543
N-benzhydryl-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)acetamide
CID 2655781
N-[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide
CID 8618212
1-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]piperidin-1-ium-4-carboxamide
CID 8557188
3-cyclohexyl-N-[phenyl(thiophen-2-yl)methyl]propanamide
CID 18290416

Frequently Asked Questions

What is the IUPAC name of 1-[2-oxo-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]ethyl]piperidin-1-ium-4-carboxamide?
The IUPAC name of 1-[2-oxo-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]ethyl]piperidin-1-ium-4-carboxamide (CID 8557506) is 1-[2-oxo-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]ethyl]piperidin-1-ium-4-carboxamide.
What is the SMILES notation for 1-[2-oxo-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]ethyl]piperidin-1-ium-4-carboxamide?
The canonical SMILES for 1-[2-oxo-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]ethyl]piperidin-1-ium-4-carboxamide is NC(=O)C1CC[NH+](CC(=O)N[C@@H](c2ccccc2)c2cccs2)CC1.
What is the InChIKey of 1-[2-oxo-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]ethyl]piperidin-1-ium-4-carboxamide?
The InChIKey is VNOFVSOAYLNQNN-SFHVURJKSA-O. The full InChI is InChI=1S/C19H23N3O2S/c20-19(24)15-8-10-22(11-9-15)13-17(23)21-18(16-7-4-12-25-16)14-5-2-1-3-6-14/h1-7,12,15,18H,8-11,13H2,(H2,20,24)(H,21,23)/p+1/t18-/m0/s1.
What are the key properties of 1-[2-oxo-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]ethyl]piperidin-1-ium-4-carboxamide?
1-[2-oxo-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]ethyl]piperidin-1-ium-4-carboxamide has a molecular weight of 358.49 g/mol, XLogP of 0.73, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-oxo-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]ethyl]piperidin-1-ium-4-carboxamide is sourced from PubChem (CID 8557506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).