2-(1-adamantyl)-N-[1-(4-propan-2-ylbenzoyl)piperidin-4-yl]acetamide

C27H38N2O2 — CID 108559996

IUPAC2-(1-adamantyl)-N-[1-(4-propan-2-ylbenzoyl)piperidin-4-yl]acetamide
SMILESCC(C)c1ccc(C(=O)N2CCC(NC(=O)CC34CC5CC(CC(C5)C3)C4)CC2)cc1
InChIInChI=1S/C27H38N2O2/c1-18(2)22-3-5-23(6-4-22)26(31)29-9-7-24(8-10-29)28-25(30)17-27-14-19-11-20(15-27)13-21(12-19)16-27/h3-6,18-21,24H,7-17H2,1-2H3,(H,28,30)
InChIKeyZFDKXOILQULHJG-UHFFFAOYSA-N
MW422.61 g/mol
LogP5.14
Rot. Bonds5

About 2-(1-adamantyl)-N-[1-(4-propan-2-ylbenzoyl)piperidin-4-yl]acetamide

2-(1-adamantyl)-N-[1-(4-propan-2-ylbenzoyl)piperidin-4-yl]acetamide (PubChem CID 108559996) has the molecular formula C27H38N2O2 and a molecular weight of 422.61 g/mol. Its IUPAC name is 2-(1-adamantyl)-N-[1-(4-propan-2-ylbenzoyl)piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-(1-adamantyl)-N-[1-(4-propan-2-ylbenzoyl)piperidin-4-yl]acetamide
PubChem CID108559996
Molecular FormulaC27H38N2O2
Molecular Weight422.61 g/mol
Exact Mass422.29
IUPAC Name2-(1-adamantyl)-N-[1-(4-propan-2-ylbenzoyl)piperidin-4-yl]acetamide
SMILESCC(C)c1ccc(C(=O)N2CCC(NC(=O)CC34CC5CC(CC(C5)C3)C4)CC2)cc1
InChIInChI=1S/C27H38N2O2/c1-18(2)22-3-5-23(6-4-22)26(31)29-9-7-24(8-10-29)28-25(30)17-27-14-19-11-20(15-27)13-21(12-19)16-27/h3-6,18-21,24H,7-17H2,1-2H3,(H,28,30)
InChIKeyZFDKXOILQULHJG-UHFFFAOYSA-N
XLogP5.14
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.61
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-propan-2-ylbenzoyl)piperidin-4-yl]acetamide
CID 49348928
N-[1-(3-acetamidobenzoyl)piperidin-4-yl]-2-(1-adamantyl)acetamide
CID 108550975
2-(4-ethoxyphenyl)-N-[1-(4-propan-2-ylbenzoyl)piperidin-4-yl]acetamide
CID 108561343
4-tert-butyl-N-[1-(4-propan-2-ylbenzoyl)piperidin-4-yl]benzamide
CID 108561415
2-(3,4-dimethylphenoxy)-N-[1-(4-propan-2-ylbenzoyl)piperidin-4-yl]acetamide
CID 108560903
2-(1-adamantyl)-N-[1-(3-chloro-2,2-dimethylpropanoyl)piperidin-4-yl]acetamide
CID 108559979
(4-aminopiperidin-1-yl)-(4-propan-2-ylphenyl)methanone
CID 18071748
N-[1-(4-propan-2-ylbenzoyl)piperidin-4-yl]furan-2-carboxamide
CID 110820463
2-(1-adamantyl)-N-(1-ethylsulfonylpiperidin-4-yl)acetamide
CID 108559964
2-(1-adamantyl)-N-(1-methylsulfonylpiperidin-4-yl)acetamide
CID 108559995
2-(1-adamantyl)-N-[1-[2-(2-methoxyphenoxy)acetyl]piperidin-4-yl]acetamide
CID 108551002
2-acetamido-N-[1-(4-chlorobenzoyl)piperidin-4-yl]-3-(4-propan-2-ylphenyl)propanamide
CID 3227027

Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-N-[1-(4-propan-2-ylbenzoyl)piperidin-4-yl]acetamide?
The IUPAC name of 2-(1-adamantyl)-N-[1-(4-propan-2-ylbenzoyl)piperidin-4-yl]acetamide (CID 108559996) is 2-(1-adamantyl)-N-[1-(4-propan-2-ylbenzoyl)piperidin-4-yl]acetamide.
What is the SMILES notation for 2-(1-adamantyl)-N-[1-(4-propan-2-ylbenzoyl)piperidin-4-yl]acetamide?
The canonical SMILES for 2-(1-adamantyl)-N-[1-(4-propan-2-ylbenzoyl)piperidin-4-yl]acetamide is CC(C)c1ccc(C(=O)N2CCC(NC(=O)CC34CC5CC(CC(C5)C3)C4)CC2)cc1.
What is the InChIKey of 2-(1-adamantyl)-N-[1-(4-propan-2-ylbenzoyl)piperidin-4-yl]acetamide?
The InChIKey is ZFDKXOILQULHJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H38N2O2/c1-18(2)22-3-5-23(6-4-22)26(31)29-9-7-24(8-10-29)28-25(30)17-27-14-19-11-20(15-27)13-21(12-19)16-27/h3-6,18-21,24H,7-17H2,1-2H3,(H,28,30).
What are the key properties of 2-(1-adamantyl)-N-[1-(4-propan-2-ylbenzoyl)piperidin-4-yl]acetamide?
2-(1-adamantyl)-N-[1-(4-propan-2-ylbenzoyl)piperidin-4-yl]acetamide has a molecular weight of 422.61 g/mol, XLogP of 5.14, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-N-[1-(4-propan-2-ylbenzoyl)piperidin-4-yl]acetamide is sourced from PubChem (CID 108559996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).