3-amino-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]benzamide

C19H25N3OS — CID 119830765

IUPAC3-amino-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]benzamide
SMILESCC1CCN(C(CNC(=O)c2cccc(N)c2)c2cccs2)CC1
InChIInChI=1S/C19H25N3OS/c1-14-7-9-22(10-8-14)17(18-6-3-11-24-18)13-21-19(23)15-4-2-5-16(20)12-15/h2-6,11-12,14,17H,7-10,13,20H2,1H3,(H,21,23)
InChIKeyLZQXXHYSLTZCCH-UHFFFAOYSA-N
MW343.50 g/mol
LogP3.53
Rot. Bonds5

About 3-amino-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]benzamide

3-amino-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]benzamide (PubChem CID 119830765) has the molecular formula C19H25N3OS and a molecular weight of 343.50 g/mol. Its IUPAC name is 3-amino-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]benzamide.

Molecular Properties

Compound Name3-amino-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]benzamide
PubChem CID119830765
Molecular FormulaC19H25N3OS
Molecular Weight343.50 g/mol
Exact Mass343.17
IUPAC Name3-amino-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]benzamide
SMILESCC1CCN(C(CNC(=O)c2cccc(N)c2)c2cccs2)CC1
InChIInChI=1S/C19H25N3OS/c1-14-7-9-22(10-8-14)17(18-6-3-11-24-18)13-21-19(23)15-4-2-5-16(20)12-15/h2-6,11-12,14,17H,7-10,13,20H2,1H3,(H,21,23)
InChIKeyLZQXXHYSLTZCCH-UHFFFAOYSA-N
XLogP3.53
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.50
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]benzamide
CID 43006371
2,3-dimethyl-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]quinoxaline-6-carboxamide
CID 42922665
N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-3-(2H-tetrazol-5-yl)benzamide
CID 167959073
N-[(2R)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-3-(tetrazol-1-yl)benzamide
CID 51969392
3-amino-N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]benzamide
CID 119849842
4-methoxy-N-[(2S)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]benzamide
CID 35577491
2-amino-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]benzamide;dihydrochloride
CID 119946151
1-acetyl-N-[(2R)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2,3-dihydroindole-5-carboxamide
CID 30523873
3-hydroxy-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-4-nitrobenzamide
CID 24639919
4-chloro-N-[(2S)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-3-nitrobenzamide
CID 8781620
3-methyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide
CID 17012410
N-[4-[[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]amino]-4-oxobutyl]benzamide
CID 46522585

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]benzamide?
The IUPAC name of 3-amino-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]benzamide (CID 119830765) is 3-amino-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]benzamide.
What is the SMILES notation for 3-amino-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]benzamide?
The canonical SMILES for 3-amino-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]benzamide is CC1CCN(C(CNC(=O)c2cccc(N)c2)c2cccs2)CC1.
What is the InChIKey of 3-amino-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]benzamide?
The InChIKey is LZQXXHYSLTZCCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3OS/c1-14-7-9-22(10-8-14)17(18-6-3-11-24-18)13-21-19(23)15-4-2-5-16(20)12-15/h2-6,11-12,14,17H,7-10,13,20H2,1H3,(H,21,23).
What are the key properties of 3-amino-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]benzamide?
3-amino-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]benzamide has a molecular weight of 343.50 g/mol, XLogP of 3.53, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]benzamide is sourced from PubChem (CID 119830765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).