2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-N-(1-ethylpiperidin-4-yl)acetamide

C18H29ClN4OS — CID 30963137

IUPAC2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-N-(1-ethylpiperidin-4-yl)acetamide
SMILESCCN1CCC(NC(=O)CN2CCN(Cc3ccc(Cl)s3)CC2)CC1
InChIInChI=1S/C18H29ClN4OS/c1-2-21-7-5-15(6-8-21)20-18(24)14-23-11-9-22(10-12-23)13-16-3-4-17(19)25-16/h3-4,15H,2,5-14H2,1H3,(H,20,24)
InChIKeyNAXBQVXWYKWMTF-UHFFFAOYSA-N
MW384.98 g/mol
LogP2.12
Rot. Bonds6

About 2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-N-(1-ethylpiperidin-4-yl)acetamide

2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-N-(1-ethylpiperidin-4-yl)acetamide (PubChem CID 30963137) has the molecular formula C18H29ClN4OS and a molecular weight of 384.98 g/mol. Its IUPAC name is 2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-N-(1-ethylpiperidin-4-yl)acetamide.

Molecular Properties

Compound Name2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-N-(1-ethylpiperidin-4-yl)acetamide
PubChem CID30963137
Molecular FormulaC18H29ClN4OS
Molecular Weight384.98 g/mol
Exact Mass384.18
IUPAC Name2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-N-(1-ethylpiperidin-4-yl)acetamide
SMILESCCN1CCC(NC(=O)CN2CCN(Cc3ccc(Cl)s3)CC2)CC1
InChIInChI=1S/C18H29ClN4OS/c1-2-21-7-5-15(6-8-21)20-18(24)14-23-11-9-22(10-12-23)13-16-3-4-17(19)25-16/h3-4,15H,2,5-14H2,1H3,(H,20,24)
InChIKeyNAXBQVXWYKWMTF-UHFFFAOYSA-N
XLogP2.12
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.98
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-N-(1-ethylpiperidin-4-yl)acetamide 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

2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-N-methylacetamide
CID 30962910
2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-N-[(1S,2R)-2-methylcyclohexyl]acetamide
CID 9262254
N-butan-2-yl-2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]acetamide
CID 47007098
1-[(5-chlorothiophen-2-yl)methyl]-N-methylpiperidin-4-amine;hydrochloride
CID 119923162
2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-N-cyclopropylpropanamide
CID 46700299
2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 9262225
N-(1-ethylpiperidin-4-yl)-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 30728730
N-(1-ethylpiperidin-4-yl)-2-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]acetamide
CID 95335405
2-[[2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]acetyl]amino]-N,N-dimethylpropanamide
CID 87012882
2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-N-(2-methylphenyl)acetamide
CID 9262048
N-[2-(5-chlorothiophen-2-yl)ethyl]-1-ethylpiperidin-4-amine
CID 113260642
ethyl 4-[(5-chlorothiophen-2-yl)methyl]piperazine-1-carboxylate
CID 11748243

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-N-(1-ethylpiperidin-4-yl)acetamide?
The IUPAC name of 2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-N-(1-ethylpiperidin-4-yl)acetamide (CID 30963137) is 2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-N-(1-ethylpiperidin-4-yl)acetamide.
What is the SMILES notation for 2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-N-(1-ethylpiperidin-4-yl)acetamide?
The canonical SMILES for 2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-N-(1-ethylpiperidin-4-yl)acetamide is CCN1CCC(NC(=O)CN2CCN(Cc3ccc(Cl)s3)CC2)CC1.
What is the InChIKey of 2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-N-(1-ethylpiperidin-4-yl)acetamide?
The InChIKey is NAXBQVXWYKWMTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29ClN4OS/c1-2-21-7-5-15(6-8-21)20-18(24)14-23-11-9-22(10-12-23)13-16-3-4-17(19)25-16/h3-4,15H,2,5-14H2,1H3,(H,20,24).
What are the key properties of 2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-N-(1-ethylpiperidin-4-yl)acetamide?
2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-N-(1-ethylpiperidin-4-yl)acetamide has a molecular weight of 384.98 g/mol, XLogP of 2.12, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-N-(1-ethylpiperidin-4-yl)acetamide is sourced from PubChem (CID 30963137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).