N-[1-[2-(1-adamantyl)acetyl]piperidin-4-yl]-4-phenoxybutanamide

C27H38N2O3 — CID 108553602

IUPACN-[1-[2-(1-adamantyl)acetyl]piperidin-4-yl]-4-phenoxybutanamide
SMILESO=C(CCCOc1ccccc1)NC1CCN(C(=O)CC23CC4CC(CC(C4)C2)C3)CC1
InChIInChI=1S/C27H38N2O3/c30-25(7-4-12-32-24-5-2-1-3-6-24)28-23-8-10-29(11-9-23)26(31)19-27-16-20-13-21(17-27)15-22(14-20)18-27/h1-3,5-6,20-23H,4,7-19H2,(H,28,30)
InChIKeyKXDUATQGPVIXQD-UHFFFAOYSA-N
MW438.61 g/mol
LogP4.56
Rot. Bonds8

About N-[1-[2-(1-adamantyl)acetyl]piperidin-4-yl]-4-phenoxybutanamide

N-[1-[2-(1-adamantyl)acetyl]piperidin-4-yl]-4-phenoxybutanamide (PubChem CID 108553602) has the molecular formula C27H38N2O3 and a molecular weight of 438.61 g/mol. Its IUPAC name is N-[1-[2-(1-adamantyl)acetyl]piperidin-4-yl]-4-phenoxybutanamide.

Molecular Properties

Compound NameN-[1-[2-(1-adamantyl)acetyl]piperidin-4-yl]-4-phenoxybutanamide
PubChem CID108553602
Molecular FormulaC27H38N2O3
Molecular Weight438.61 g/mol
Exact Mass438.29
IUPAC NameN-[1-[2-(1-adamantyl)acetyl]piperidin-4-yl]-4-phenoxybutanamide
SMILESO=C(CCCOc1ccccc1)NC1CCN(C(=O)CC23CC4CC(CC(C4)C2)C3)CC1
InChIInChI=1S/C27H38N2O3/c30-25(7-4-12-32-24-5-2-1-3-6-24)28-23-8-10-29(11-9-23)26(31)19-27-16-20-13-21(17-27)15-22(14-20)18-27/h1-3,5-6,20-23H,4,7-19H2,(H,28,30)
InChIKeyKXDUATQGPVIXQD-UHFFFAOYSA-N
XLogP4.56
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.61
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[4-[2-(1-adamantyl)acetyl]-1,4-diazepan-1-yl]-4-phenoxybutan-1-one
CID 108545354
N-[1-[2-(1-adamantyl)acetyl]piperidin-4-yl]-4-chlorobutanamide
CID 108564224
N-[1-(3-methoxypropanoyl)piperidin-4-yl]-4-phenoxybutanamide
CID 108553641
N-[1-[2-(1-adamantyl)acetyl]piperidin-4-yl]-3-methoxypropanamide
CID 108556161
N-[1-(4-phenoxybutanoyl)piperidin-4-yl]-2-phenylacetamide
CID 108551285
4-(4-methylphenoxy)-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]butanamide
CID 108553445
4-phenoxy-N-[1-[(E)-3-phenylprop-2-enoyl]piperidin-4-yl]butanamide
CID 108561185
prop-2-enyl 4-(4-phenoxybutanoylamino)piperidine-1-carboxylate
CID 108561202
4-(4-phenoxybutanoylamino)-N-phenylpiperidine-1-carboxamide
CID 51324376
N-[1-[2-(1-adamantyl)acetyl]piperidin-4-yl]-4-ethoxybenzamide
CID 108551861
N-[1-(3-phenoxypropanoyl)piperidin-4-yl]butanamide
CID 110820896
2-phenoxy-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]acetamide
CID 108555833

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(1-adamantyl)acetyl]piperidin-4-yl]-4-phenoxybutanamide?
The IUPAC name of N-[1-[2-(1-adamantyl)acetyl]piperidin-4-yl]-4-phenoxybutanamide (CID 108553602) is N-[1-[2-(1-adamantyl)acetyl]piperidin-4-yl]-4-phenoxybutanamide.
What is the SMILES notation for N-[1-[2-(1-adamantyl)acetyl]piperidin-4-yl]-4-phenoxybutanamide?
The canonical SMILES for N-[1-[2-(1-adamantyl)acetyl]piperidin-4-yl]-4-phenoxybutanamide is O=C(CCCOc1ccccc1)NC1CCN(C(=O)CC23CC4CC(CC(C4)C2)C3)CC1.
What is the InChIKey of N-[1-[2-(1-adamantyl)acetyl]piperidin-4-yl]-4-phenoxybutanamide?
The InChIKey is KXDUATQGPVIXQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H38N2O3/c30-25(7-4-12-32-24-5-2-1-3-6-24)28-23-8-10-29(11-9-23)26(31)19-27-16-20-13-21(17-27)15-22(14-20)18-27/h1-3,5-6,20-23H,4,7-19H2,(H,28,30).
What are the key properties of N-[1-[2-(1-adamantyl)acetyl]piperidin-4-yl]-4-phenoxybutanamide?
N-[1-[2-(1-adamantyl)acetyl]piperidin-4-yl]-4-phenoxybutanamide has a molecular weight of 438.61 g/mol, XLogP of 4.56, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(1-adamantyl)acetyl]piperidin-4-yl]-4-phenoxybutanamide is sourced from PubChem (CID 108553602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).