N-(3,3-diphenylpropyl)-2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]acetamide

C27H32N4O — CID 112801327

IUPACN-(3,3-diphenylpropyl)-2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(Cc2ccncc2)CC1)NCCC(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H32N4O/c32-27(22-31-19-17-30(18-20-31)21-23-11-14-28-15-12-23)29-16-13-26(24-7-3-1-4-8-24)25-9-5-2-6-10-25/h1-12,14-15,26H,13,16-22H2,(H,29,32)
InChIKeyXLELAKHHPWQSBA-UHFFFAOYSA-N
MW428.58 g/mol
LogP3.54
Rot. Bonds9

About N-(3,3-diphenylpropyl)-2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]acetamide

N-(3,3-diphenylpropyl)-2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]acetamide (PubChem CID 112801327) has the molecular formula C27H32N4O and a molecular weight of 428.58 g/mol. Its IUPAC name is N-(3,3-diphenylpropyl)-2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3,3-diphenylpropyl)-2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]acetamide
PubChem CID112801327
Molecular FormulaC27H32N4O
Molecular Weight428.58 g/mol
Exact Mass428.26
IUPAC NameN-(3,3-diphenylpropyl)-2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(Cc2ccncc2)CC1)NCCC(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H32N4O/c32-27(22-31-19-17-30(18-20-31)21-23-11-14-28-15-12-23)29-16-13-26(24-7-3-1-4-8-24)25-9-5-2-6-10-25/h1-12,14-15,26H,13,16-22H2,(H,29,32)
InChIKeyXLELAKHHPWQSBA-UHFFFAOYSA-N
XLogP3.54
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.58
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,3-diphenylpropyl)-2-thiomorpholin-4-ylacetamide
CID 58938041
2-(4-benzylpiperazin-1-yl)-N-[2-(methylamino)ethyl]acetamide
CID 119500637
2-(4-benzylpiperazin-1-yl)-N-[2-(ethylamino)ethyl]acetamide
CID 119505382
1-phenyl-2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethanol
CID 111462476
N-(3,3-diphenylpropyl)-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)acetamide
CID 121052709
2-[4-(pyridin-4-ylmethyl)-1,4-diazepan-1-yl]acetic acid
CID 62823811
2-(4-benzylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 46488455
2-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-N-(2-phenylethyl)acetamide
CID 17383605
2-(4-bromopyrazol-1-yl)-N-(3,3-diphenylpropyl)acetamide
CID 52666297
2-(4-benzylpiperazin-1-yl)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide
CID 30863248
2-(4-benzylpiperazin-1-yl)-N-(cyclohexylmethyl)acetamide
CID 31127901
N-[2-(4-benzylpiperazin-1-yl)ethyl]-2-phenylpentanamide
CID 134014925

Frequently Asked Questions

What is the IUPAC name of N-(3,3-diphenylpropyl)-2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]acetamide?
The IUPAC name of N-(3,3-diphenylpropyl)-2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]acetamide (CID 112801327) is N-(3,3-diphenylpropyl)-2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(3,3-diphenylpropyl)-2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(3,3-diphenylpropyl)-2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]acetamide is O=C(CN1CCN(Cc2ccncc2)CC1)NCCC(c1ccccc1)c1ccccc1.
What is the InChIKey of N-(3,3-diphenylpropyl)-2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]acetamide?
The InChIKey is XLELAKHHPWQSBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4O/c32-27(22-31-19-17-30(18-20-31)21-23-11-14-28-15-12-23)29-16-13-26(24-7-3-1-4-8-24)25-9-5-2-6-10-25/h1-12,14-15,26H,13,16-22H2,(H,29,32).
What are the key properties of N-(3,3-diphenylpropyl)-2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]acetamide?
N-(3,3-diphenylpropyl)-2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]acetamide has a molecular weight of 428.58 g/mol, XLogP of 3.54, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-diphenylpropyl)-2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 112801327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).