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

C26H36N2O3 — CID 108551861

IUPACN-[1-[2-(1-adamantyl)acetyl]piperidin-4-yl]-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)NC2CCN(C(=O)CC34CC5CC(CC(C5)C3)C4)CC2)cc1
InChIInChI=1S/C26H36N2O3/c1-2-31-23-5-3-21(4-6-23)25(30)27-22-7-9-28(10-8-22)24(29)17-26-14-18-11-19(15-26)13-20(12-18)16-26/h3-6,18-20,22H,2,7-17H2,1H3,(H,27,30)
InChIKeyWOKMVPXIGZAGNX-UHFFFAOYSA-N
MW424.59 g/mol
LogP4.41
Rot. Bonds6

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

N-[1-[2-(1-adamantyl)acetyl]piperidin-4-yl]-4-ethoxybenzamide (PubChem CID 108551861) has the molecular formula C26H36N2O3 and a molecular weight of 424.59 g/mol. Its IUPAC name is N-[1-[2-(1-adamantyl)acetyl]piperidin-4-yl]-4-ethoxybenzamide.

Molecular Properties

Compound NameN-[1-[2-(1-adamantyl)acetyl]piperidin-4-yl]-4-ethoxybenzamide
PubChem CID108551861
Molecular FormulaC26H36N2O3
Molecular Weight424.59 g/mol
Exact Mass424.27
IUPAC NameN-[1-[2-(1-adamantyl)acetyl]piperidin-4-yl]-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)NC2CCN(C(=O)CC34CC5CC(CC(C5)C3)C4)CC2)cc1
InChIInChI=1S/C26H36N2O3/c1-2-31-23-5-3-21(4-6-23)25(30)27-22-7-9-28(10-8-22)24(29)17-26-14-18-11-19(15-26)13-20(12-18)16-26/h3-6,18-20,22H,2,7-17H2,1H3,(H,27,30)
InChIKeyWOKMVPXIGZAGNX-UHFFFAOYSA-N
XLogP4.41
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.59
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[2-(1-adamantyl)acetyl]piperidin-4-yl]-3,4-dimethylbenzamide
CID 108557565
ethyl 4-[(4-ethoxybenzoyl)amino]piperidine-1-carboxylate
CID 31542192
4-ethoxy-N-[1-[2-(4-methylphenoxy)acetyl]piperidin-4-yl]benzamide
CID 108551924
4-ethoxy-N-[1-[2-(2-methoxyethoxy)acetyl]piperidin-4-yl]benzamide
CID 108551932
N-cyclohexyl-4-[(4-ethoxybenzoyl)amino]piperidine-1-carboxamide
CID 3676198
N-[1-[2-(3,4-dimethylphenoxy)acetyl]piperidin-4-yl]-4-ethoxybenzamide
CID 108551882
N-[1-[2-(1-adamantyl)acetyl]piperidin-4-yl]-4-phenoxybutanamide
CID 108553602
tert-butyl N-[3-[4-[(4-ethoxybenzoyl)amino]piperidin-1-yl]-3-oxopropyl]carbamate
CID 108551832
4-ethoxy-N-[1-(4-phenylbenzoyl)piperidin-4-yl]benzamide
CID 108551846
N-[1-[2-(1-adamantyl)acetyl]piperidin-4-yl]-3-methoxypropanamide
CID 108556161
[4-[[1-(2-cyclopentylacetyl)piperidin-4-yl]carbamoyl]phenyl] ethyl carbonate
CID 108930472
N-[1-[2-(4-ethoxyphenoxy)acetyl]piperidin-4-yl]-1,3-benzodioxole-5-carboxamide
CID 108557321

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(1-adamantyl)acetyl]piperidin-4-yl]-4-ethoxybenzamide?
The IUPAC name of N-[1-[2-(1-adamantyl)acetyl]piperidin-4-yl]-4-ethoxybenzamide (CID 108551861) is N-[1-[2-(1-adamantyl)acetyl]piperidin-4-yl]-4-ethoxybenzamide.
What is the SMILES notation for N-[1-[2-(1-adamantyl)acetyl]piperidin-4-yl]-4-ethoxybenzamide?
The canonical SMILES for N-[1-[2-(1-adamantyl)acetyl]piperidin-4-yl]-4-ethoxybenzamide is CCOc1ccc(C(=O)NC2CCN(C(=O)CC34CC5CC(CC(C5)C3)C4)CC2)cc1.
What is the InChIKey of N-[1-[2-(1-adamantyl)acetyl]piperidin-4-yl]-4-ethoxybenzamide?
The InChIKey is WOKMVPXIGZAGNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N2O3/c1-2-31-23-5-3-21(4-6-23)25(30)27-22-7-9-28(10-8-22)24(29)17-26-14-18-11-19(15-26)13-20(12-18)16-26/h3-6,18-20,22H,2,7-17H2,1H3,(H,27,30).
What are the key properties of N-[1-[2-(1-adamantyl)acetyl]piperidin-4-yl]-4-ethoxybenzamide?
N-[1-[2-(1-adamantyl)acetyl]piperidin-4-yl]-4-ethoxybenzamide has a molecular weight of 424.59 g/mol, XLogP of 4.41, 6 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-ethoxybenzamide is sourced from PubChem (CID 108551861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).