N-cyclohexyl-2-[3-[[5-[(4-phenylpiperazin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]piperidin-4-yl]acetamide

C28H41N5O2 — CID 163168593

IUPACN-cyclohexyl-2-[3-[[5-[(4-phenylpiperazin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]piperidin-4-yl]acetamide
SMILESO=C(CC1CCNCC1Cc1cc(CN2CCN(c3ccccc3)CC2)on1)NC1CCCCC1
InChIInChI=1S/C28H41N5O2/c34-28(30-24-7-3-1-4-8-24)18-22-11-12-29-20-23(22)17-25-19-27(35-31-25)21-32-13-15-33(16-14-32)26-9-5-2-6-10-26/h2,5-6,9-10,19,22-24,29H,1,3-4,7-8,11-18,20-21H2,(H,30,34)
InChIKeyUKUSBETZJOMFAO-UHFFFAOYSA-N
MW479.67 g/mol
LogP3.60
Rot. Bonds8

About N-cyclohexyl-2-[3-[[5-[(4-phenylpiperazin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]piperidin-4-yl]acetamide

N-cyclohexyl-2-[3-[[5-[(4-phenylpiperazin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]piperidin-4-yl]acetamide (PubChem CID 163168593) has the molecular formula C28H41N5O2 and a molecular weight of 479.67 g/mol. Its IUPAC name is N-cyclohexyl-2-[3-[[5-[(4-phenylpiperazin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[3-[[5-[(4-phenylpiperazin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]piperidin-4-yl]acetamide
PubChem CID163168593
Molecular FormulaC28H41N5O2
Molecular Weight479.67 g/mol
Exact Mass479.33
IUPAC NameN-cyclohexyl-2-[3-[[5-[(4-phenylpiperazin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]piperidin-4-yl]acetamide
SMILESO=C(CC1CCNCC1Cc1cc(CN2CCN(c3ccccc3)CC2)on1)NC1CCCCC1
InChIInChI=1S/C28H41N5O2/c34-28(30-24-7-3-1-4-8-24)18-22-11-12-29-20-23(22)17-25-19-27(35-31-25)21-32-13-15-33(16-14-32)26-9-5-2-6-10-26/h2,5-6,9-10,19,22-24,29H,1,3-4,7-8,11-18,20-21H2,(H,30,34)
InChIKeyUKUSBETZJOMFAO-UHFFFAOYSA-N
XLogP3.60
TPSA73.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.67
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclohexyl-2-[(3S,4S)-3-[[5-(morpholin-4-ylmethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]acetamide
CID 162796833
2-[(3R,4S)-3-[[5-[(4-phenylpiperazin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-1-piperidin-1-ylethanone
CID 25314198
N-cyclohexyl-2-[(3S,4S)-3-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]acetamide
CID 162796842
1-(4-acetylpiperazin-1-yl)-2-[(3R,4R)-3-[[5-[(4-phenylpiperazin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]piperidin-4-yl]ethanone
CID 162874779
2-[(3R,4S)-3-[[5-(cyclohexylmethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-N-cyclopropylacetamide
CID 26743248
2-[3-[[5-(cyclohexylmethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-N-cyclopropylacetamide
CID 74506282
2-[(3S,4S)-3-[[5-[[benzyl(methyl)amino]methyl]-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-N-cyclopropylacetamide
CID 162796843
methyl 3-[[(3R,4S)-4-[2-(cyclohexylamino)-2-oxoethyl]piperidin-3-yl]methyl]-1,2-oxazole-5-carboxylate
CID 26743060
2-[(3R,4S)-3-[(5-butyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]-N-cyclopropylacetamide
CID 26742965
1-(4-benzylpiperidin-1-yl)-2-[(3R,4S)-3-[[5-(morpholin-4-ylmethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]ethanone
CID 26743352
2-[3-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]-1-(4-phenylpiperazin-1-yl)ethanone
CID 74734812
2-[(3S,4S)-3-[[5-(cyclohexylmethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-1-morpholin-4-ylethanone
CID 162795869

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[3-[[5-[(4-phenylpiperazin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]piperidin-4-yl]acetamide?
The IUPAC name of N-cyclohexyl-2-[3-[[5-[(4-phenylpiperazin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]piperidin-4-yl]acetamide (CID 163168593) is N-cyclohexyl-2-[3-[[5-[(4-phenylpiperazin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]piperidin-4-yl]acetamide.
What is the SMILES notation for N-cyclohexyl-2-[3-[[5-[(4-phenylpiperazin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]piperidin-4-yl]acetamide?
The canonical SMILES for N-cyclohexyl-2-[3-[[5-[(4-phenylpiperazin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]piperidin-4-yl]acetamide is O=C(CC1CCNCC1Cc1cc(CN2CCN(c3ccccc3)CC2)on1)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-[3-[[5-[(4-phenylpiperazin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]piperidin-4-yl]acetamide?
The InChIKey is UKUSBETZJOMFAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H41N5O2/c34-28(30-24-7-3-1-4-8-24)18-22-11-12-29-20-23(22)17-25-19-27(35-31-25)21-32-13-15-33(16-14-32)26-9-5-2-6-10-26/h2,5-6,9-10,19,22-24,29H,1,3-4,7-8,11-18,20-21H2,(H,30,34).
What are the key properties of N-cyclohexyl-2-[3-[[5-[(4-phenylpiperazin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]piperidin-4-yl]acetamide?
N-cyclohexyl-2-[3-[[5-[(4-phenylpiperazin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]piperidin-4-yl]acetamide has a molecular weight of 479.67 g/mol, XLogP of 3.60, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[3-[[5-[(4-phenylpiperazin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 163168593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).