N-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]-2-thiophen-3-ylacetamide

C23H24ClN3OS — CID 139635234

IUPACN-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]-2-thiophen-3-ylacetamide
SMILESO=C(Cc1ccsc1)NN1CCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C23H24ClN3OS/c24-21-8-6-20(7-9-21)23(19-4-2-1-3-5-19)26-11-13-27(14-12-26)25-22(28)16-18-10-15-29-17-18/h1-10,15,17,23H,11-14,16H2,(H,25,28)
InChIKeyAHOGGHQZKLFPPO-UHFFFAOYSA-N
MW425.99 g/mol
LogP4.38
Rot. Bonds6

About N-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]-2-thiophen-3-ylacetamide

N-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]-2-thiophen-3-ylacetamide (PubChem CID 139635234) has the molecular formula C23H24ClN3OS and a molecular weight of 425.99 g/mol. Its IUPAC name is N-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]-2-thiophen-3-ylacetamide.

Molecular Properties

Compound NameN-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]-2-thiophen-3-ylacetamide
PubChem CID139635234
Molecular FormulaC23H24ClN3OS
Molecular Weight425.99 g/mol
Exact Mass425.13
IUPAC NameN-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]-2-thiophen-3-ylacetamide
SMILESO=C(Cc1ccsc1)NN1CCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C23H24ClN3OS/c24-21-8-6-20(7-9-21)23(19-4-2-1-3-5-19)26-11-13-27(14-12-26)25-22(28)16-18-10-15-29-17-18/h1-10,15,17,23H,11-14,16H2,(H,25,28)
InChIKeyAHOGGHQZKLFPPO-UHFFFAOYSA-N
XLogP4.38
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.99
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-4-[(R)-(4-chlorophenyl)-phenylmethyl]piperazine-1-carboxamide
CID 92767870
2-[4-[(S)-(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]acetamide
CID 92573658
1-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]-2-(methylamino)ethanone;hydrochloride
CID 120705343
4-[(S)-(4-chlorophenyl)-phenylmethyl]-N-phenylpiperazine-1-carboxamide
CID 92767755
1-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]-2-(N-phenylanilino)ethanone
CID 11634655
1-(4-benzhydrylpiperazin-1-yl)-2-(4-chloroanilino)ethanone
CID 23649221
(2R)-1-[4-[bis(4-chlorophenyl)methyl]piperazin-1-yl]-2-phenylbutan-1-one
CID 92770642
1-[(S)-(4-chlorophenyl)-phenylmethyl]-4-propan-2-ylpiperazine
CID 118119340
N-[2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]-2-oxoethyl]thiophene-2-sulfonamide
CID 15995658
2-[[4-[(R)-(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]methoxy]acetic acid
CID 169450832
N-[(4-chlorophenyl)methyl]-4-[(S)-(4-fluorophenyl)-phenylmethyl]piperazine-1-carboxamide
CID 92768403
2-(4-chlorophenyl)-N-[(2R)-2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]acetamide
CID 30604637

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]-2-thiophen-3-ylacetamide?
The IUPAC name of N-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]-2-thiophen-3-ylacetamide (CID 139635234) is N-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]-2-thiophen-3-ylacetamide.
What is the SMILES notation for N-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]-2-thiophen-3-ylacetamide?
The canonical SMILES for N-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]-2-thiophen-3-ylacetamide is O=C(Cc1ccsc1)NN1CCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1.
What is the InChIKey of N-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]-2-thiophen-3-ylacetamide?
The InChIKey is AHOGGHQZKLFPPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN3OS/c24-21-8-6-20(7-9-21)23(19-4-2-1-3-5-19)26-11-13-27(14-12-26)25-22(28)16-18-10-15-29-17-18/h1-10,15,17,23H,11-14,16H2,(H,25,28).
What are the key properties of N-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]-2-thiophen-3-ylacetamide?
N-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]-2-thiophen-3-ylacetamide has a molecular weight of 425.99 g/mol, XLogP of 4.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]-2-thiophen-3-ylacetamide is sourced from PubChem (CID 139635234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).