2-[2-[(phenylcarbamoylamino)methyl]piperidin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide

C21H28N4O2S — CID 71897626

IUPAC2-[2-[(phenylcarbamoylamino)methyl]piperidin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide
SMILESO=C(CN1CCCCC1CNC(=O)Nc1ccccc1)NCCc1cccs1
InChIInChI=1S/C21H28N4O2S/c26-20(22-12-11-19-10-6-14-28-19)16-25-13-5-4-9-18(25)15-23-21(27)24-17-7-2-1-3-8-17/h1-3,6-8,10,14,18H,4-5,9,11-13,15-16H2,(H,22,26)(H2,23,24,27)
InChIKeyVZYZLICLAKJXKV-UHFFFAOYSA-N
MW400.55 g/mol
LogP3.08
Rot. Bonds8

About 2-[2-[(phenylcarbamoylamino)methyl]piperidin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide

2-[2-[(phenylcarbamoylamino)methyl]piperidin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide (PubChem CID 71897626) has the molecular formula C21H28N4O2S and a molecular weight of 400.55 g/mol. Its IUPAC name is 2-[2-[(phenylcarbamoylamino)methyl]piperidin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide.

Molecular Properties

Compound Name2-[2-[(phenylcarbamoylamino)methyl]piperidin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide
PubChem CID71897626
Molecular FormulaC21H28N4O2S
Molecular Weight400.55 g/mol
Exact Mass400.19
IUPAC Name2-[2-[(phenylcarbamoylamino)methyl]piperidin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide
SMILESO=C(CN1CCCCC1CNC(=O)Nc1ccccc1)NCCc1cccs1
InChIInChI=1S/C21H28N4O2S/c26-20(22-12-11-19-10-6-14-28-19)16-25-13-5-4-9-18(25)15-23-21(27)24-17-7-2-1-3-8-17/h1-3,6-8,10,14,18H,4-5,9,11-13,15-16H2,(H,22,26)(H2,23,24,27)
InChIKeyVZYZLICLAKJXKV-UHFFFAOYSA-N
XLogP3.08
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.55
LogP ≤ 53.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(hydroxymethyl)azepan-1-yl]-N-(2-thiophen-2-ylethyl)acetamide
CID 116637722
N-(cyclohexylmethyl)-2-[2-[(phenylcarbamoylamino)methyl]piperidin-1-yl]acetamide
CID 55626345
3-[2-[(phenylcarbamoylamino)methyl]piperidin-1-yl]propanoic acid
CID 119123950
3-[(1-benzylpiperidin-2-yl)methylcarbamoylamino]-N-(thiophen-2-ylmethyl)benzamide
CID 166381990
N-(5-chloro-2-fluorophenyl)-2-[2-[(phenylcarbamoylamino)methyl]piperidin-1-yl]acetamide
CID 55626041
N-(3-methylsulfonylphenyl)-2-[2-[(phenylcarbamoylamino)methyl]piperidin-1-yl]acetamide
CID 42956011
2-[(2S)-2-[(2S)-1-acetylpyrrolidin-2-yl]pyrrolidin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide
CID 95342533
2-[(2R)-2-[(2R)-2-hydroxy-2-phenylethyl]azepan-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 95974867
1-[[1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidin-2-yl]methyl]-3-phenylurea
CID 120902751
1-[[1-[2-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-oxoethyl]piperidin-2-yl]methyl]-3-phenylurea
CID 78860486
N-methyl-N-[(2-methylphenyl)methyl]-2-[2-[(phenylcarbamoylamino)methyl]piperidin-1-yl]acetamide
CID 78860482
2-[4-(azepane-1-carbonyl)piperidin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide
CID 18088940

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(phenylcarbamoylamino)methyl]piperidin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide?
The IUPAC name of 2-[2-[(phenylcarbamoylamino)methyl]piperidin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide (CID 71897626) is 2-[2-[(phenylcarbamoylamino)methyl]piperidin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide.
What is the SMILES notation for 2-[2-[(phenylcarbamoylamino)methyl]piperidin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide?
The canonical SMILES for 2-[2-[(phenylcarbamoylamino)methyl]piperidin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide is O=C(CN1CCCCC1CNC(=O)Nc1ccccc1)NCCc1cccs1.
What is the InChIKey of 2-[2-[(phenylcarbamoylamino)methyl]piperidin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide?
The InChIKey is VZYZLICLAKJXKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O2S/c26-20(22-12-11-19-10-6-14-28-19)16-25-13-5-4-9-18(25)15-23-21(27)24-17-7-2-1-3-8-17/h1-3,6-8,10,14,18H,4-5,9,11-13,15-16H2,(H,22,26)(H2,23,24,27).
What are the key properties of 2-[2-[(phenylcarbamoylamino)methyl]piperidin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide?
2-[2-[(phenylcarbamoylamino)methyl]piperidin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide has a molecular weight of 400.55 g/mol, XLogP of 3.08, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(phenylcarbamoylamino)methyl]piperidin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide is sourced from PubChem (CID 71897626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).