N-[4-(4-cyclohexylpiperazin-1-yl)phenyl]-2-thiophen-2-ylacetamide

C22H29N3OS — CID 112502781

IUPACN-[4-(4-cyclohexylpiperazin-1-yl)phenyl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)Nc1ccc(N2CCN(C3CCCCC3)CC2)cc1
InChIInChI=1S/C22H29N3OS/c26-22(17-21-7-4-16-27-21)23-18-8-10-20(11-9-18)25-14-12-24(13-15-25)19-5-2-1-3-6-19/h4,7-11,16,19H,1-3,5-6,12-15,17H2,(H,23,26)
InChIKeyOIYCBDPTVFTOJN-UHFFFAOYSA-N
MW383.56 g/mol
LogP4.38
Rot. Bonds5

About N-[4-(4-cyclohexylpiperazin-1-yl)phenyl]-2-thiophen-2-ylacetamide

N-[4-(4-cyclohexylpiperazin-1-yl)phenyl]-2-thiophen-2-ylacetamide (PubChem CID 112502781) has the molecular formula C22H29N3OS and a molecular weight of 383.56 g/mol. Its IUPAC name is N-[4-(4-cyclohexylpiperazin-1-yl)phenyl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[4-(4-cyclohexylpiperazin-1-yl)phenyl]-2-thiophen-2-ylacetamide
PubChem CID112502781
Molecular FormulaC22H29N3OS
Molecular Weight383.56 g/mol
Exact Mass383.20
IUPAC NameN-[4-(4-cyclohexylpiperazin-1-yl)phenyl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)Nc1ccc(N2CCN(C3CCCCC3)CC2)cc1
InChIInChI=1S/C22H29N3OS/c26-22(17-21-7-4-16-27-21)23-18-8-10-20(11-9-18)25-14-12-24(13-15-25)19-5-2-1-3-6-19/h4,7-11,16,19H,1-3,5-6,12-15,17H2,(H,23,26)
InChIKeyOIYCBDPTVFTOJN-UHFFFAOYSA-N
XLogP4.38
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.56
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[4-(4-methylpiperazin-1-yl)phenyl]-2-thiophen-2-ylacetamide
CID 7744758
N-[4-(4-methylpiperidin-1-yl)phenyl]-2-thiophen-2-ylacetamide
CID 9302925
N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-thiophen-2-ylacetamide
CID 39911925
N-[4-(4-formylpiperazin-1-yl)phenyl]-2-thiophen-2-ylacetamide
CID 112981698
N-[4-[4-(3-methylphenyl)piperazin-1-yl]phenyl]-2-thiophen-2-ylacetamide
CID 112984453
N-[4-(4-cyclohexylpiperazin-1-yl)phenyl]-2-methylpropanamide
CID 112502772
N-[4-(4-cyclopentylpiperazin-1-yl)phenyl]-2-(oxan-2-yl)acetamide
CID 110621036
N-[4-(4-cyclopropylpiperazin-1-yl)phenyl]-2-(4-fluorophenyl)acetamide
CID 110288057
N-[4-(4-cyclopropylpiperazin-1-yl)phenyl]-2-(oxan-2-yl)acetamide
CID 110627164
N-[4-(4-cyclohexylpiperazin-1-yl)phenyl]oxolane-2-carboxamide
CID 112502775
N-(4-piperidin-1-ylsulfonylphenyl)-2-thiophen-2-ylacetamide
CID 1305863
N-[4-(4-cyclopentylpiperazin-1-yl)phenyl]pyridine-4-carboxamide
CID 112502757

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-cyclohexylpiperazin-1-yl)phenyl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[4-(4-cyclohexylpiperazin-1-yl)phenyl]-2-thiophen-2-ylacetamide (CID 112502781) is N-[4-(4-cyclohexylpiperazin-1-yl)phenyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[4-(4-cyclohexylpiperazin-1-yl)phenyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[4-(4-cyclohexylpiperazin-1-yl)phenyl]-2-thiophen-2-ylacetamide is O=C(Cc1cccs1)Nc1ccc(N2CCN(C3CCCCC3)CC2)cc1.
What is the InChIKey of N-[4-(4-cyclohexylpiperazin-1-yl)phenyl]-2-thiophen-2-ylacetamide?
The InChIKey is OIYCBDPTVFTOJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3OS/c26-22(17-21-7-4-16-27-21)23-18-8-10-20(11-9-18)25-14-12-24(13-15-25)19-5-2-1-3-6-19/h4,7-11,16,19H,1-3,5-6,12-15,17H2,(H,23,26).
What are the key properties of N-[4-(4-cyclohexylpiperazin-1-yl)phenyl]-2-thiophen-2-ylacetamide?
N-[4-(4-cyclohexylpiperazin-1-yl)phenyl]-2-thiophen-2-ylacetamide has a molecular weight of 383.56 g/mol, XLogP of 4.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-cyclohexylpiperazin-1-yl)phenyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 112502781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).