(3S)-N-(2-phenoxyethyl)-3-(thiophene-2-carbonyl)piperidine-1-carboxamide

C19H22N2O3S — CID 126430496

IUPAC(3S)-N-(2-phenoxyethyl)-3-(thiophene-2-carbonyl)piperidine-1-carboxamide
SMILESO=C(c1cccs1)[C@H]1CCCN(C(=O)NCCOc2ccccc2)C1
InChIInChI=1S/C19H22N2O3S/c22-18(17-9-5-13-25-17)15-6-4-11-21(14-15)19(23)20-10-12-24-16-7-2-1-3-8-16/h1-3,5,7-9,13,15H,4,6,10-12,14H2,(H,20,23)/t15-/m0/s1
InChIKeyIYOHRPRZICXLEQ-HNNXBMFYSA-N
MW358.46 g/mol
LogP3.43
Rot. Bonds6

About (3S)-N-(2-phenoxyethyl)-3-(thiophene-2-carbonyl)piperidine-1-carboxamide

(3S)-N-(2-phenoxyethyl)-3-(thiophene-2-carbonyl)piperidine-1-carboxamide (PubChem CID 126430496) has the molecular formula C19H22N2O3S and a molecular weight of 358.46 g/mol. Its IUPAC name is (3S)-N-(2-phenoxyethyl)-3-(thiophene-2-carbonyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-N-(2-phenoxyethyl)-3-(thiophene-2-carbonyl)piperidine-1-carboxamide
PubChem CID126430496
Molecular FormulaC19H22N2O3S
Molecular Weight358.46 g/mol
Exact Mass358.14
IUPAC Name(3S)-N-(2-phenoxyethyl)-3-(thiophene-2-carbonyl)piperidine-1-carboxamide
SMILESO=C(c1cccs1)[C@H]1CCCN(C(=O)NCCOc2ccccc2)C1
InChIInChI=1S/C19H22N2O3S/c22-18(17-9-5-13-25-17)15-6-4-11-21(14-15)19(23)20-10-12-24-16-7-2-1-3-8-16/h1-3,5,7-9,13,15H,4,6,10-12,14H2,(H,20,23)/t15-/m0/s1
InChIKeyIYOHRPRZICXLEQ-HNNXBMFYSA-N
XLogP3.43
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(methanesulfonamido)-N-(2-phenoxyethyl)piperidine-1-carboxamide
CID 51083543
2-phenoxy-1-[4-(thiophene-2-carbonyl)piperidin-1-yl]ethanone
CID 110394361
1-[2-(3,5-dimethoxyphenoxy)ethylcarbamoyl]piperidine-3-carboxylic acid
CID 122006872
N-(2-phenoxyethyl)cyclohexanecarboxamide
CID 2298971
1-(4-methylbenzoyl)-N-(2-phenoxyethyl)piperidine-3-carboxamide
CID 46481032
[4-(2-phenoxyethyl)piperidin-1-yl]-thiophen-2-ylmethanone
CID 53150724
(3R)-3-N-[2-(4-ethoxyphenoxy)ethyl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 8530719
(3R)-3-N-[2-(4-methylphenoxy)ethyl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 9088747
1-(2-phenylmethoxyethylcarbamoyl)piperidine-3-carboxylic acid
CID 122004851
N-(2-phenoxyethyl)cyclopentanecarboxamide
CID 30349598
1-[2-(2-propan-2-ylphenoxy)ethylcarbamoyl]piperidine-3-carboxylic acid
CID 122001774
N-[2-(4-methylphenoxy)ethyl]azepane-1-carboxamide
CID 112970074

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(2-phenoxyethyl)-3-(thiophene-2-carbonyl)piperidine-1-carboxamide?
The IUPAC name of (3S)-N-(2-phenoxyethyl)-3-(thiophene-2-carbonyl)piperidine-1-carboxamide (CID 126430496) is (3S)-N-(2-phenoxyethyl)-3-(thiophene-2-carbonyl)piperidine-1-carboxamide.
What is the SMILES notation for (3S)-N-(2-phenoxyethyl)-3-(thiophene-2-carbonyl)piperidine-1-carboxamide?
The canonical SMILES for (3S)-N-(2-phenoxyethyl)-3-(thiophene-2-carbonyl)piperidine-1-carboxamide is O=C(c1cccs1)[C@H]1CCCN(C(=O)NCCOc2ccccc2)C1.
What is the InChIKey of (3S)-N-(2-phenoxyethyl)-3-(thiophene-2-carbonyl)piperidine-1-carboxamide?
The InChIKey is IYOHRPRZICXLEQ-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H22N2O3S/c22-18(17-9-5-13-25-17)15-6-4-11-21(14-15)19(23)20-10-12-24-16-7-2-1-3-8-16/h1-3,5,7-9,13,15H,4,6,10-12,14H2,(H,20,23)/t15-/m0/s1.
What are the key properties of (3S)-N-(2-phenoxyethyl)-3-(thiophene-2-carbonyl)piperidine-1-carboxamide?
(3S)-N-(2-phenoxyethyl)-3-(thiophene-2-carbonyl)piperidine-1-carboxamide has a molecular weight of 358.46 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(2-phenoxyethyl)-3-(thiophene-2-carbonyl)piperidine-1-carboxamide is sourced from PubChem (CID 126430496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).