N-[1-(3-acetamidobenzoyl)piperidin-4-yl]-2-(1-adamantyl)acetamide

C26H35N3O3 — CID 108550975

IUPACN-[1-(3-acetamidobenzoyl)piperidin-4-yl]-2-(1-adamantyl)acetamide
SMILESCC(=O)Nc1cccc(C(=O)N2CCC(NC(=O)CC34CC5CC(CC(C5)C3)C4)CC2)c1
InChIInChI=1S/C26H35N3O3/c1-17(30)27-23-4-2-3-21(12-23)25(32)29-7-5-22(6-8-29)28-24(31)16-26-13-18-9-19(14-26)11-20(10-18)15-26/h2-4,12,18-20,22H,5-11,13-16H2,1H3,(H,27,30)(H,28,31)
InChIKeyHNUMZCZTBOEPNP-UHFFFAOYSA-N
MW437.58 g/mol
LogP3.97
Rot. Bonds5

About N-[1-(3-acetamidobenzoyl)piperidin-4-yl]-2-(1-adamantyl)acetamide

N-[1-(3-acetamidobenzoyl)piperidin-4-yl]-2-(1-adamantyl)acetamide (PubChem CID 108550975) has the molecular formula C26H35N3O3 and a molecular weight of 437.58 g/mol. Its IUPAC name is N-[1-(3-acetamidobenzoyl)piperidin-4-yl]-2-(1-adamantyl)acetamide.

Molecular Properties

Compound NameN-[1-(3-acetamidobenzoyl)piperidin-4-yl]-2-(1-adamantyl)acetamide
PubChem CID108550975
Molecular FormulaC26H35N3O3
Molecular Weight437.58 g/mol
Exact Mass437.27
IUPAC NameN-[1-(3-acetamidobenzoyl)piperidin-4-yl]-2-(1-adamantyl)acetamide
SMILESCC(=O)Nc1cccc(C(=O)N2CCC(NC(=O)CC34CC5CC(CC(C5)C3)C4)CC2)c1
InChIInChI=1S/C26H35N3O3/c1-17(30)27-23-4-2-3-21(12-23)25(32)29-7-5-22(6-8-29)28-24(31)16-26-13-18-9-19(14-26)11-20(10-18)15-26/h2-4,12,18-20,22H,5-11,13-16H2,1H3,(H,27,30)(H,28,31)
InChIKeyHNUMZCZTBOEPNP-UHFFFAOYSA-N
XLogP3.97
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.58
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3-acetamidobenzoyl)piperidin-4-yl]-2-phenylacetamide
CID 108551288
2-(1-adamantyl)-N-[1-(4-propan-2-ylbenzoyl)piperidin-4-yl]acetamide
CID 108559996
N-[1-(3-acetamidobenzoyl)piperidin-4-yl]-2-ethylbutanamide
CID 108555614
N-[1-(3-acetamidobenzoyl)piperidin-4-yl]-3,5-dihydroxybenzamide
CID 108558184
N-[3-[4-(adamantane-1-carbonyl)-1,4-diazepane-1-carbonyl]phenyl]acetamide
CID 108547145
N-[1-(3-acetamidobenzoyl)piperidin-4-yl]-4-fluorobenzamide
CID 32508951
N-[1-(3-acetamidobenzoyl)piperidin-4-yl]-2-hydroxybenzamide
CID 108551397
2-chloroethyl N-[1-(3-acetamidobenzoyl)piperidin-4-yl]carbamate
CID 108565532
4-(3-acetamidobenzoyl)-N-cyclopentylpiperazine-1-carboxamide
CID 110812202
N-[1-(3-acetamidobenzoyl)piperidin-4-yl]-4-methoxybenzamide
CID 108548929
N-[3-(thiomorpholine-4-carbonyl)phenyl]acetamide
CID 47289091
N-(4-acetamidophenyl)-2-[3-(4-methylpiperidine-1-carbonyl)anilino]acetamide
CID 54843300

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-acetamidobenzoyl)piperidin-4-yl]-2-(1-adamantyl)acetamide?
The IUPAC name of N-[1-(3-acetamidobenzoyl)piperidin-4-yl]-2-(1-adamantyl)acetamide (CID 108550975) is N-[1-(3-acetamidobenzoyl)piperidin-4-yl]-2-(1-adamantyl)acetamide.
What is the SMILES notation for N-[1-(3-acetamidobenzoyl)piperidin-4-yl]-2-(1-adamantyl)acetamide?
The canonical SMILES for N-[1-(3-acetamidobenzoyl)piperidin-4-yl]-2-(1-adamantyl)acetamide is CC(=O)Nc1cccc(C(=O)N2CCC(NC(=O)CC34CC5CC(CC(C5)C3)C4)CC2)c1.
What is the InChIKey of N-[1-(3-acetamidobenzoyl)piperidin-4-yl]-2-(1-adamantyl)acetamide?
The InChIKey is HNUMZCZTBOEPNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N3O3/c1-17(30)27-23-4-2-3-21(12-23)25(32)29-7-5-22(6-8-29)28-24(31)16-26-13-18-9-19(14-26)11-20(10-18)15-26/h2-4,12,18-20,22H,5-11,13-16H2,1H3,(H,27,30)(H,28,31).
What are the key properties of N-[1-(3-acetamidobenzoyl)piperidin-4-yl]-2-(1-adamantyl)acetamide?
N-[1-(3-acetamidobenzoyl)piperidin-4-yl]-2-(1-adamantyl)acetamide has a molecular weight of 437.58 g/mol, XLogP of 3.97, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-acetamidobenzoyl)piperidin-4-yl]-2-(1-adamantyl)acetamide is sourced from PubChem (CID 108550975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).