2-[4-(azepane-1-carbonyl)piperidin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide

C20H31N3O2S — CID 18088940

IUPAC2-[4-(azepane-1-carbonyl)piperidin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide
SMILESO=C(CN1CCC(C(=O)N2CCCCCC2)CC1)NCCc1cccs1
InChIInChI=1S/C20H31N3O2S/c24-19(21-10-7-18-6-5-15-26-18)16-22-13-8-17(9-14-22)20(25)23-11-3-1-2-4-12-23/h5-6,15,17H,1-4,7-14,16H2,(H,21,24)
InChIKeyZZAHLOHJOOFPQC-UHFFFAOYSA-N
MW377.55 g/mol
LogP2.52
Rot. Bonds6

About 2-[4-(azepane-1-carbonyl)piperidin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide

2-[4-(azepane-1-carbonyl)piperidin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide (PubChem CID 18088940) has the molecular formula C20H31N3O2S and a molecular weight of 377.55 g/mol. Its IUPAC name is 2-[4-(azepane-1-carbonyl)piperidin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide.

Molecular Properties

Compound Name2-[4-(azepane-1-carbonyl)piperidin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide
PubChem CID18088940
Molecular FormulaC20H31N3O2S
Molecular Weight377.55 g/mol
Exact Mass377.21
IUPAC Name2-[4-(azepane-1-carbonyl)piperidin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide
SMILESO=C(CN1CCC(C(=O)N2CCCCCC2)CC1)NCCc1cccs1
InChIInChI=1S/C20H31N3O2S/c24-19(21-10-7-18-6-5-15-26-18)16-22-13-8-17(9-14-22)20(25)23-11-3-1-2-4-12-23/h5-6,15,17H,1-4,7-14,16H2,(H,21,24)
InChIKeyZZAHLOHJOOFPQC-UHFFFAOYSA-N
XLogP2.52
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.55
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[4-(azepane-1-carbonyl)piperidin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide 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

2-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide
CID 26516446
2-[4-(morpholine-4-carbonyl)piperidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 27071147
N-[1-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]piperidin-4-yl]thiophene-2-carboxamide
CID 47548206
2-[3-(methylamino)pyrrolidin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide
CID 81493901
2-[4-(1H-pyrazol-4-yl)piperidin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide
CID 86773374
2-[2-(hydroxymethyl)azepan-1-yl]-N-(2-thiophen-2-ylethyl)acetamide
CID 116637722
4-(2-oxo-2-piperidin-1-ylethyl)-N-(2-thiophen-2-ylethyl)piperazine-1-carboxamide
CID 86912732
4-[2-oxo-2-(2-phenylethylamino)ethyl]-N-(2-thiophen-2-ylethyl)-1,4-diazepane-1-carboxamide
CID 4521959
2-[3-oxo-2-(piperidine-1-carbonyl)-1,4-benzothiazin-4-yl]-N-(2-thiophen-2-ylethyl)acetamide
CID 46387870
2-[4-(azepane-1-carbonyl)piperidin-1-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 17413437
N-[2-(4-methoxyphenyl)ethyl]-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]acetamide
CID 42541171
2-[4-(oxolane-3-carbonyl)-1,4-diazepan-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 137338425

Frequently Asked Questions

What is the IUPAC name of 2-[4-(azepane-1-carbonyl)piperidin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide?
The IUPAC name of 2-[4-(azepane-1-carbonyl)piperidin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide (CID 18088940) is 2-[4-(azepane-1-carbonyl)piperidin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide.
What is the SMILES notation for 2-[4-(azepane-1-carbonyl)piperidin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide?
The canonical SMILES for 2-[4-(azepane-1-carbonyl)piperidin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide is O=C(CN1CCC(C(=O)N2CCCCCC2)CC1)NCCc1cccs1.
What is the InChIKey of 2-[4-(azepane-1-carbonyl)piperidin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide?
The InChIKey is ZZAHLOHJOOFPQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O2S/c24-19(21-10-7-18-6-5-15-26-18)16-22-13-8-17(9-14-22)20(25)23-11-3-1-2-4-12-23/h5-6,15,17H,1-4,7-14,16H2,(H,21,24).
What are the key properties of 2-[4-(azepane-1-carbonyl)piperidin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide?
2-[4-(azepane-1-carbonyl)piperidin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide has a molecular weight of 377.55 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(azepane-1-carbonyl)piperidin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide is sourced from PubChem (CID 18088940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).