N-[2-(cyclohexen-1-yl)ethyl]-2-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]acetamide

C22H31N5O — CID 134011223

IUPACN-[2-(cyclohexen-1-yl)ethyl]-2-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(Cc2cn3ccccc3n2)CC1)NCCC1=CCCCC1
InChIInChI=1S/C22H31N5O/c28-22(23-10-9-19-6-2-1-3-7-19)18-26-14-12-25(13-15-26)16-20-17-27-11-5-4-8-21(27)24-20/h4-6,8,11,17H,1-3,7,9-10,12-16,18H2,(H,23,28)
InChIKeyVIOXPLWKXXKZAZ-UHFFFAOYSA-N
MW381.52 g/mol
LogP2.46
Rot. Bonds7

About N-[2-(cyclohexen-1-yl)ethyl]-2-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]acetamide

N-[2-(cyclohexen-1-yl)ethyl]-2-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]acetamide (PubChem CID 134011223) has the molecular formula C22H31N5O and a molecular weight of 381.52 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-2-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-2-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]acetamide
PubChem CID134011223
Molecular FormulaC22H31N5O
Molecular Weight381.52 g/mol
Exact Mass381.25
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-2-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(Cc2cn3ccccc3n2)CC1)NCCC1=CCCCC1
InChIInChI=1S/C22H31N5O/c28-22(23-10-9-19-6-2-1-3-7-19)18-26-14-12-25(13-15-26)16-20-17-27-11-5-4-8-21(27)24-20/h4-6,8,11,17H,1-3,7,9-10,12-16,18H2,(H,23,28)
InChIKeyVIOXPLWKXXKZAZ-UHFFFAOYSA-N
XLogP2.46
TPSA52.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-N-(2-phenylethyl)acetamide
CID 134011203
N-[2-(cyclohexen-1-yl)ethyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 87051260
N-[2-(cyclohexen-1-yl)ethyl]-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]acetamide
CID 24534438
2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 17148746
2-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 87015088
N-[2-(cyclohexen-1-yl)ethyl]-2-[4-[(5-methylfuran-2-yl)methyl]piperazin-1-yl]acetamide
CID 17148751
N-[2-(cyclohexen-1-yl)ethyl]-2-[4-[2-(2,3-dimethylanilino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 9435209
N-(2,5-difluorophenyl)-2-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]acetamide
CID 134011222
N-[2-(cyclohexen-1-yl)ethyl]-2-[4-[2-(hydroxymethyl)phenyl]piperidin-1-yl]acetamide
CID 166232642
2-[4-[2-(cyclohexen-1-yl)ethylcarbamothioyl]-1,4-diazepan-1-yl]-N-(2-phenylethyl)acetamide
CID 74225204
methyl 2-[[2-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]acetyl]amino]benzoate
CID 78836239
N-[2-(cyclohexen-1-yl)ethyl]-2-(3,4-dihydroxypyrrolidin-1-yl)acetamide
CID 106673045

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]acetamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]acetamide (CID 134011223) is N-[2-(cyclohexen-1-yl)ethyl]-2-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-2-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-2-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]acetamide is O=C(CN1CCN(Cc2cn3ccccc3n2)CC1)NCCC1=CCCCC1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-2-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]acetamide?
The InChIKey is VIOXPLWKXXKZAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N5O/c28-22(23-10-9-19-6-2-1-3-7-19)18-26-14-12-25(13-15-26)16-20-17-27-11-5-4-8-21(27)24-20/h4-6,8,11,17H,1-3,7,9-10,12-16,18H2,(H,23,28).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-2-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]acetamide?
N-[2-(cyclohexen-1-yl)ethyl]-2-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]acetamide has a molecular weight of 381.52 g/mol, XLogP of 2.46, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-2-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 134011223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).