1-[2-(1-adamantyl)acetyl]piperidine-4-carbonitrile

C18H26N2O — CID 49064669

IUPAC1-[2-(1-adamantyl)acetyl]piperidine-4-carbonitrile
SMILESN#CC1CCN(C(=O)CC23CC4CC(CC(C4)C2)C3)CC1
InChIInChI=1S/C18H26N2O/c19-12-13-1-3-20(4-2-13)17(21)11-18-8-14-5-15(9-18)7-16(6-14)10-18/h13-16H,1-11H2
InChIKeyDHLDDEZQRNIWQE-UHFFFAOYSA-N
MW286.42 g/mol
LogP3.36
Rot. Bonds2

About 1-[2-(1-adamantyl)acetyl]piperidine-4-carbonitrile

1-[2-(1-adamantyl)acetyl]piperidine-4-carbonitrile (PubChem CID 49064669) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is 1-[2-(1-adamantyl)acetyl]piperidine-4-carbonitrile.

Molecular Properties

Compound Name1-[2-(1-adamantyl)acetyl]piperidine-4-carbonitrile
PubChem CID49064669
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name1-[2-(1-adamantyl)acetyl]piperidine-4-carbonitrile
SMILESN#CC1CCN(C(=O)CC23CC4CC(CC(C4)C2)C3)CC1
InChIInChI=1S/C18H26N2O/c19-12-13-1-3-20(4-2-13)17(21)11-18-8-14-5-15(9-18)7-16(6-14)10-18/h13-16H,1-11H2
InChIKeyDHLDDEZQRNIWQE-UHFFFAOYSA-N
XLogP3.36
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[2-(1-adamantyl)acetyl]piperidine-4-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(3-bromo-1-adamantyl)acetyl]piperidine-4-carbonitrile
CID 49064503
2-(1-adamantyl)-1-(4-aminopiperidin-1-yl)ethanone;hydrochloride
CID 119374560
2-(1-adamantyl)-1-[3-(aminomethyl)pyrrolidin-1-yl]ethanone;hydrochloride
CID 119484973
2-(1-adamantyl)-1-[4-(2-aminoethyl)piperazin-1-yl]ethanone
CID 127110191
1-[4-[2-(1-adamantyl)acetyl]piperazin-1-yl]pentane-1,4-dione
CID 108534561
2-(1-adamantyl)-1-[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]ethanone
CID 108545367
1-[4-[2-(1-adamantyl)acetyl]piperazin-1-yl]-4-chlorobutan-1-one
CID 108568029
2-(1-adamantyl)-1-[3-(2-bromoethyl)pyrrolidin-1-yl]ethanone
CID 114801488
2-(1-adamantyl)-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]ethanone
CID 115966017
1-butanoylpiperidine-4-carbonitrile
CID 39237347
N-[1-[2-(1-adamantyl)acetyl]piperidin-4-yl]-3,3-dimethylbutanamide
CID 108564229
1-[4-[2-(1-adamantyl)acetyl]-1,4-diazepan-1-yl]pentane-1,4-dione
CID 108545396

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-adamantyl)acetyl]piperidine-4-carbonitrile?
The IUPAC name of 1-[2-(1-adamantyl)acetyl]piperidine-4-carbonitrile (CID 49064669) is 1-[2-(1-adamantyl)acetyl]piperidine-4-carbonitrile.
What is the SMILES notation for 1-[2-(1-adamantyl)acetyl]piperidine-4-carbonitrile?
The canonical SMILES for 1-[2-(1-adamantyl)acetyl]piperidine-4-carbonitrile is N#CC1CCN(C(=O)CC23CC4CC(CC(C4)C2)C3)CC1.
What is the InChIKey of 1-[2-(1-adamantyl)acetyl]piperidine-4-carbonitrile?
The InChIKey is DHLDDEZQRNIWQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c19-12-13-1-3-20(4-2-13)17(21)11-18-8-14-5-15(9-18)7-16(6-14)10-18/h13-16H,1-11H2.
What are the key properties of 1-[2-(1-adamantyl)acetyl]piperidine-4-carbonitrile?
1-[2-(1-adamantyl)acetyl]piperidine-4-carbonitrile has a molecular weight of 286.42 g/mol, XLogP of 3.36, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-adamantyl)acetyl]piperidine-4-carbonitrile is sourced from PubChem (CID 49064669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).