N-(1-adamantylmethyl)-2-(4-benzylpiperazin-1-yl)acetamide

C24H35N3O — CID 8902332

IUPACN-(1-adamantylmethyl)-2-(4-benzylpiperazin-1-yl)acetamide
SMILESO=C(CN1CCN(Cc2ccccc2)CC1)NCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C24H35N3O/c28-23(25-18-24-13-20-10-21(14-24)12-22(11-20)15-24)17-27-8-6-26(7-9-27)16-19-4-2-1-3-5-19/h1-5,20-22H,6-18H2,(H,25,28)
InChIKeyGURSJZGKZBRYEY-UHFFFAOYSA-N
MW381.56 g/mol
LogP3.14
Rot. Bonds6

About N-(1-adamantylmethyl)-2-(4-benzylpiperazin-1-yl)acetamide

N-(1-adamantylmethyl)-2-(4-benzylpiperazin-1-yl)acetamide (PubChem CID 8902332) has the molecular formula C24H35N3O and a molecular weight of 381.56 g/mol. Its IUPAC name is N-(1-adamantylmethyl)-2-(4-benzylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(1-adamantylmethyl)-2-(4-benzylpiperazin-1-yl)acetamide
PubChem CID8902332
Molecular FormulaC24H35N3O
Molecular Weight381.56 g/mol
Exact Mass381.28
IUPAC NameN-(1-adamantylmethyl)-2-(4-benzylpiperazin-1-yl)acetamide
SMILESO=C(CN1CCN(Cc2ccccc2)CC1)NCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C24H35N3O/c28-23(25-18-24-13-20-10-21(14-24)12-22(11-20)15-24)17-27-8-6-26(7-9-27)16-19-4-2-1-3-5-19/h1-5,20-22H,6-18H2,(H,25,28)
InChIKeyGURSJZGKZBRYEY-UHFFFAOYSA-N
XLogP3.14
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.56
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-adamantylmethyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide
CID 8932536
2-(4-benzylpiperazin-1-yl)-N-[(1-hydroxycyclohexyl)methyl]acetamide
CID 111445977
2-(4-methylpiperazin-1-yl)-N-[[(3R,6R)-1-tricyclo[4.3.1.13,8]undecanyl]methyl]acetamide
CID 22489803
2-(4-benzylpiperazin-1-yl)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide
CID 30863248
2-(4-benzylpiperazin-1-yl)-N-[2-(methylamino)ethyl]acetamide
CID 119500637
2-(4-benzylpiperazin-1-yl)-N-(cyclohexylmethyl)acetamide
CID 31127901
2-(4-benzylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 46488455
2-(4-benzylpiperazin-1-yl)-N-(2-bicyclo[2.2.1]heptanyl)acetamide
CID 21383089
N-[(1,4-dibenzylpiperidin-4-yl)methyl]-2-piperidin-1-ylacetamide
CID 177375552
N-(1-adamantylmethyl)-4-(morpholin-4-ylmethyl)benzamide
CID 9047114
2-(4-benzylpiperazin-1-yl)-N-[2-(ethylamino)ethyl]acetamide
CID 119505382
2-(4-benzylpiperazin-1-yl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide;dihydrochloride
CID 120946032

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantylmethyl)-2-(4-benzylpiperazin-1-yl)acetamide?
The IUPAC name of N-(1-adamantylmethyl)-2-(4-benzylpiperazin-1-yl)acetamide (CID 8902332) is N-(1-adamantylmethyl)-2-(4-benzylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-(1-adamantylmethyl)-2-(4-benzylpiperazin-1-yl)acetamide?
The canonical SMILES for N-(1-adamantylmethyl)-2-(4-benzylpiperazin-1-yl)acetamide is O=C(CN1CCN(Cc2ccccc2)CC1)NCC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(1-adamantylmethyl)-2-(4-benzylpiperazin-1-yl)acetamide?
The InChIKey is GURSJZGKZBRYEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N3O/c28-23(25-18-24-13-20-10-21(14-24)12-22(11-20)15-24)17-27-8-6-26(7-9-27)16-19-4-2-1-3-5-19/h1-5,20-22H,6-18H2,(H,25,28).
What are the key properties of N-(1-adamantylmethyl)-2-(4-benzylpiperazin-1-yl)acetamide?
N-(1-adamantylmethyl)-2-(4-benzylpiperazin-1-yl)acetamide has a molecular weight of 381.56 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantylmethyl)-2-(4-benzylpiperazin-1-yl)acetamide is sourced from PubChem (CID 8902332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).