2-amino-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]acetamide

C13H21N3OS — CID 119865468

IUPAC2-amino-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]acetamide
SMILESNCC(=O)NCC1CCN(Cc2cccs2)CC1
InChIInChI=1S/C13H21N3OS/c14-8-13(17)15-9-11-3-5-16(6-4-11)10-12-2-1-7-18-12/h1-2,7,11H,3-6,8-10,14H2,(H,15,17)
InChIKeyTUVBGEKPBMZNRO-UHFFFAOYSA-N
MW267.40 g/mol
LogP1.03
Rot. Bonds5

About 2-amino-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]acetamide

2-amino-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]acetamide (PubChem CID 119865468) has the molecular formula C13H21N3OS and a molecular weight of 267.40 g/mol. Its IUPAC name is 2-amino-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]acetamide
PubChem CID119865468
Molecular FormulaC13H21N3OS
Molecular Weight267.40 g/mol
Exact Mass267.14
IUPAC Name2-amino-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]acetamide
SMILESNCC(=O)NCC1CCN(Cc2cccs2)CC1
InChIInChI=1S/C13H21N3OS/c14-8-13(17)15-9-11-3-5-16(6-4-11)10-12-2-1-7-18-12/h1-2,7,11H,3-6,8-10,14H2,(H,15,17)
InChIKeyTUVBGEKPBMZNRO-UHFFFAOYSA-N
XLogP1.03
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.40
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]pentanamide
CID 49056824
1-amino-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]cyclopropane-1-carboxamide;dihydrochloride
CID 119865422
2-cyclopentyloxy-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]acetamide
CID 49056121
4-(methylamino)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]butanamide
CID 119865435
(3R)-3-cyclopropyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]butanamide
CID 94820546
2-(5-methylthiophen-2-yl)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]acetamide
CID 49055900
2-(4-cyanophenoxy)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]acetamide
CID 47086830
2-(4-propoxyphenoxy)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]acetamide
CID 49056925
N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 49056126
2-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methylcarbamoylamino]propanediamide
CID 48964508
(Z)-3-cyclopropyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]but-2-enamide
CID 49056027
N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]-2,3-dihydroindole-1-carboxamide
CID 49110751

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]acetamide?
The IUPAC name of 2-amino-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]acetamide (CID 119865468) is 2-amino-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]acetamide.
What is the SMILES notation for 2-amino-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]acetamide?
The canonical SMILES for 2-amino-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]acetamide is NCC(=O)NCC1CCN(Cc2cccs2)CC1.
What is the InChIKey of 2-amino-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]acetamide?
The InChIKey is TUVBGEKPBMZNRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3OS/c14-8-13(17)15-9-11-3-5-16(6-4-11)10-12-2-1-7-18-12/h1-2,7,11H,3-6,8-10,14H2,(H,15,17).
What are the key properties of 2-amino-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]acetamide?
2-amino-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]acetamide has a molecular weight of 267.40 g/mol, XLogP of 1.03, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]acetamide is sourced from PubChem (CID 119865468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).