2-[4-[[5-(4-chlorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]propanamide

C18H22ClN3OS — CID 42948770

IUPAC2-[4-[[5-(4-chlorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]propanamide
SMILESCC(C(N)=O)N1CCN(Cc2ccc(-c3ccc(Cl)cc3)s2)CC1
InChIInChI=1S/C18H22ClN3OS/c1-13(18(20)23)22-10-8-21(9-11-22)12-16-6-7-17(24-16)14-2-4-15(19)5-3-14/h2-7,13H,8-12H2,1H3,(H2,20,23)
InChIKeyVBBIJLYLTMRNSQ-UHFFFAOYSA-N
MW363.91 g/mol
LogP3.06
Rot. Bonds5

About 2-[4-[[5-(4-chlorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]propanamide

2-[4-[[5-(4-chlorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]propanamide (PubChem CID 42948770) has the molecular formula C18H22ClN3OS and a molecular weight of 363.91 g/mol. Its IUPAC name is 2-[4-[[5-(4-chlorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]propanamide.

Molecular Properties

Compound Name2-[4-[[5-(4-chlorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]propanamide
PubChem CID42948770
Molecular FormulaC18H22ClN3OS
Molecular Weight363.91 g/mol
Exact Mass363.12
IUPAC Name2-[4-[[5-(4-chlorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]propanamide
SMILESCC(C(N)=O)N1CCN(Cc2ccc(-c3ccc(Cl)cc3)s2)CC1
InChIInChI=1S/C18H22ClN3OS/c1-13(18(20)23)22-10-8-21(9-11-22)12-16-6-7-17(24-16)14-2-4-15(19)5-3-14/h2-7,13H,8-12H2,1H3,(H2,20,23)
InChIKeyVBBIJLYLTMRNSQ-UHFFFAOYSA-N
XLogP3.06
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.91
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[4-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]propanamide
CID 35262712
2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-N-propan-2-ylpropanamide
CID 84986849
(2S)-2-[4-[[5-(2-chlorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]-N-(methylcarbamoyl)propanamide
CID 35261539
(2S)-2-[4-[(2-chloro-3-cyano-4-fluorophenyl)methyl]piperazin-1-yl]propanamide
CID 100643482
2-[4-[[5-(4-chlorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]-N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 42948771
2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-N-cyclopropylpropanamide
CID 46700299
4-[5-(piperidin-1-ylmethyl)thiophen-2-yl]benzoic acid
CID 58256876
2-[4-[[5-(4-bromophenyl)thiophen-2-yl]methyl]piperazin-1-yl]acetic acid
CID 119134593
(2R,3R)-1-[[5-(4-chlorophenyl)thiophen-2-yl]methyl]-2-methylpiperidine-3-carboxylic acid
CID 122124728
(2R)-2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-N-methyl-N-phenylpropanamide
CID 9317239
2-[4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]propanoic acid
CID 119134449
(2S)-2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-(methylcarbamoyl)propanamide
CID 9389745

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[5-(4-chlorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]propanamide?
The IUPAC name of 2-[4-[[5-(4-chlorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]propanamide (CID 42948770) is 2-[4-[[5-(4-chlorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]propanamide.
What is the SMILES notation for 2-[4-[[5-(4-chlorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]propanamide?
The canonical SMILES for 2-[4-[[5-(4-chlorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]propanamide is CC(C(N)=O)N1CCN(Cc2ccc(-c3ccc(Cl)cc3)s2)CC1.
What is the InChIKey of 2-[4-[[5-(4-chlorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]propanamide?
The InChIKey is VBBIJLYLTMRNSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3OS/c1-13(18(20)23)22-10-8-21(9-11-22)12-16-6-7-17(24-16)14-2-4-15(19)5-3-14/h2-7,13H,8-12H2,1H3,(H2,20,23).
What are the key properties of 2-[4-[[5-(4-chlorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]propanamide?
2-[4-[[5-(4-chlorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]propanamide has a molecular weight of 363.91 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[5-(4-chlorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]propanamide is sourced from PubChem (CID 42948770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).