4-amino-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]butanamide;dihydrochloride

C16H29Cl2N3OS — CID 119830784

IUPAC4-amino-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]butanamide;dihydrochloride
SMILESCC1CCN(C(CNC(=O)CCCN)c2cccs2)CC1.Cl.Cl
InChIInChI=1S/C16H27N3OS.2ClH/c1-13-6-9-19(10-7-13)14(15-4-3-11-21-15)12-18-16(20)5-2-8-17;;/h3-4,11,13-14H,2,5-10,12,17H2,1H3,(H,18,20);2*1H
InChIKeyKYOACBOWAMXXLD-UHFFFAOYSA-N
MW382.40 g/mol
LogP3.22
Rot. Bonds7

About 4-amino-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]butanamide;dihydrochloride

4-amino-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]butanamide;dihydrochloride (PubChem CID 119830784) has the molecular formula C16H29Cl2N3OS and a molecular weight of 382.40 g/mol. Its IUPAC name is 4-amino-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]butanamide;dihydrochloride.

Molecular Properties

Compound Name4-amino-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]butanamide;dihydrochloride
PubChem CID119830784
Molecular FormulaC16H29Cl2N3OS
Molecular Weight382.40 g/mol
Exact Mass381.14
IUPAC Name4-amino-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]butanamide;dihydrochloride
SMILESCC1CCN(C(CNC(=O)CCCN)c2cccs2)CC1.Cl.Cl
InChIInChI=1S/C16H27N3OS.2ClH/c1-13-6-9-19(10-7-13)14(15-4-3-11-21-15)12-18-16(20)5-2-8-17;;/h3-4,11,13-14H,2,5-10,12,17H2,1H3,(H,18,20);2*1H
InChIKeyKYOACBOWAMXXLD-UHFFFAOYSA-N
XLogP3.22
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.40
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-amino-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]butanamide;dihydrochloride 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

N-[4-[[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]amino]-4-oxobutyl]benzamide
CID 46522585
3-amino-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]butanamide
CID 119830777
2-amino-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]benzamide;dihydrochloride
CID 119946151
N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]benzamide
CID 43006371
2-(4-chlorophenoxy)-N-[(2S)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]acetamide
CID 35577511
2-(4-bromophenoxy)-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]acetamide;hydrochloride
CID 146052459
2-(2-methoxyphenyl)-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]acetamide
CID 43006350
N-[2-[[(2R)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]amino]-2-oxoethyl]adamantane-1-carboxamide
CID 38705329
4-bromo-N-[2-[[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]amino]-2-oxoethyl]benzamide
CID 112768607
3-(carbamoylamino)-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]-3-thiophen-2-ylpropanamide
CID 60551889
2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]acetamide
CID 87000650
N-[(2S)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 34941503

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]butanamide;dihydrochloride?
The IUPAC name of 4-amino-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]butanamide;dihydrochloride (CID 119830784) is 4-amino-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]butanamide;dihydrochloride.
What is the SMILES notation for 4-amino-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]butanamide;dihydrochloride?
The canonical SMILES for 4-amino-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]butanamide;dihydrochloride is CC1CCN(C(CNC(=O)CCCN)c2cccs2)CC1.Cl.Cl.
What is the InChIKey of 4-amino-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]butanamide;dihydrochloride?
The InChIKey is KYOACBOWAMXXLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3OS.2ClH/c1-13-6-9-19(10-7-13)14(15-4-3-11-21-15)12-18-16(20)5-2-8-17;;/h3-4,11,13-14H,2,5-10,12,17H2,1H3,(H,18,20);2*1H.
What are the key properties of 4-amino-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]butanamide;dihydrochloride?
4-amino-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]butanamide;dihydrochloride has a molecular weight of 382.40 g/mol, XLogP of 3.22, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]butanamide;dihydrochloride is sourced from PubChem (CID 119830784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).