N-[1-[[4-[3-(dimethylamino)phenyl]thiophen-2-yl]methyl]-3-methylpiperidin-3-yl]acetamide

C21H29N3OS — CID 134804932

IUPACN-[1-[[4-[3-(dimethylamino)phenyl]thiophen-2-yl]methyl]-3-methylpiperidin-3-yl]acetamide
SMILESCC(=O)NC1(C)CCCN(Cc2cc(-c3cccc(N(C)C)c3)cs2)C1
InChIInChI=1S/C21H29N3OS/c1-16(25)22-21(2)9-6-10-24(15-21)13-20-12-18(14-26-20)17-7-5-8-19(11-17)23(3)4/h5,7-8,11-12,14H,6,9-10,13,15H2,1-4H3,(H,22,25)
InChIKeyKTJGTKJNHKRUNM-UHFFFAOYSA-N
MW371.55 g/mol
LogP3.97
Rot. Bonds5

About N-[1-[[4-[3-(dimethylamino)phenyl]thiophen-2-yl]methyl]-3-methylpiperidin-3-yl]acetamide

N-[1-[[4-[3-(dimethylamino)phenyl]thiophen-2-yl]methyl]-3-methylpiperidin-3-yl]acetamide (PubChem CID 134804932) has the molecular formula C21H29N3OS and a molecular weight of 371.55 g/mol. Its IUPAC name is N-[1-[[4-[3-(dimethylamino)phenyl]thiophen-2-yl]methyl]-3-methylpiperidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[1-[[4-[3-(dimethylamino)phenyl]thiophen-2-yl]methyl]-3-methylpiperidin-3-yl]acetamide
PubChem CID134804932
Molecular FormulaC21H29N3OS
Molecular Weight371.55 g/mol
Exact Mass371.20
IUPAC NameN-[1-[[4-[3-(dimethylamino)phenyl]thiophen-2-yl]methyl]-3-methylpiperidin-3-yl]acetamide
SMILESCC(=O)NC1(C)CCCN(Cc2cc(-c3cccc(N(C)C)c3)cs2)C1
InChIInChI=1S/C21H29N3OS/c1-16(25)22-21(2)9-6-10-24(15-21)13-20-12-18(14-26-20)17-7-5-8-19(11-17)23(3)4/h5,7-8,11-12,14H,6,9-10,13,15H2,1-4H3,(H,22,25)
InChIKeyKTJGTKJNHKRUNM-UHFFFAOYSA-N
XLogP3.97
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.55
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[[4-[3-(dimethylamino)phenyl]thiophen-2-yl]methyl]-3-methylpiperidin-3-yl]acetamide?
The IUPAC name of N-[1-[[4-[3-(dimethylamino)phenyl]thiophen-2-yl]methyl]-3-methylpiperidin-3-yl]acetamide (CID 134804932) is N-[1-[[4-[3-(dimethylamino)phenyl]thiophen-2-yl]methyl]-3-methylpiperidin-3-yl]acetamide.
What is the SMILES notation for N-[1-[[4-[3-(dimethylamino)phenyl]thiophen-2-yl]methyl]-3-methylpiperidin-3-yl]acetamide?
The canonical SMILES for N-[1-[[4-[3-(dimethylamino)phenyl]thiophen-2-yl]methyl]-3-methylpiperidin-3-yl]acetamide is CC(=O)NC1(C)CCCN(Cc2cc(-c3cccc(N(C)C)c3)cs2)C1.
What is the InChIKey of N-[1-[[4-[3-(dimethylamino)phenyl]thiophen-2-yl]methyl]-3-methylpiperidin-3-yl]acetamide?
The InChIKey is KTJGTKJNHKRUNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3OS/c1-16(25)22-21(2)9-6-10-24(15-21)13-20-12-18(14-26-20)17-7-5-8-19(11-17)23(3)4/h5,7-8,11-12,14H,6,9-10,13,15H2,1-4H3,(H,22,25).
What are the key properties of N-[1-[[4-[3-(dimethylamino)phenyl]thiophen-2-yl]methyl]-3-methylpiperidin-3-yl]acetamide?
N-[1-[[4-[3-(dimethylamino)phenyl]thiophen-2-yl]methyl]-3-methylpiperidin-3-yl]acetamide has a molecular weight of 371.55 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[4-[3-(dimethylamino)phenyl]thiophen-2-yl]methyl]-3-methylpiperidin-3-yl]acetamide is sourced from PubChem (CID 134804932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).