2-cyclopentyl-2-phenyl-4-piperidin-1-ylbutanenitrile;oxalic acid

C22H30N2O4 — CID 24842566

IUPAC2-cyclopentyl-2-phenyl-4-piperidin-1-ylbutanenitrile;oxalic acid
SMILESN#CC(CCN1CCCCC1)(c1ccccc1)C1CCCC1.O=C(O)C(=O)O
InChIInChI=1S/C20H28N2.C2H2O4/c21-17-20(19-11-5-6-12-19,18-9-3-1-4-10-18)13-16-22-14-7-2-8-15-22;3-1(4)2(5)6/h1,3-4,9-10,19H,2,5-8,11-16H2;(H,3,4)(H,5,6)
InChIKeyHJUSTFJLJWBOGT-UHFFFAOYSA-N
MW386.49 g/mol
LogP3.67
Rot. Bonds5

About 2-cyclopentyl-2-phenyl-4-piperidin-1-ylbutanenitrile;oxalic acid

2-cyclopentyl-2-phenyl-4-piperidin-1-ylbutanenitrile;oxalic acid (PubChem CID 24842566) has the molecular formula C22H30N2O4 and a molecular weight of 386.49 g/mol. Its IUPAC name is 2-cyclopentyl-2-phenyl-4-piperidin-1-ylbutanenitrile;oxalic acid.

Molecular Properties

Compound Name2-cyclopentyl-2-phenyl-4-piperidin-1-ylbutanenitrile;oxalic acid
PubChem CID24842566
Molecular FormulaC22H30N2O4
Molecular Weight386.49 g/mol
Exact Mass386.22
IUPAC Name2-cyclopentyl-2-phenyl-4-piperidin-1-ylbutanenitrile;oxalic acid
SMILESN#CC(CCN1CCCCC1)(c1ccccc1)C1CCCC1.O=C(O)C(=O)O
InChIInChI=1S/C20H28N2.C2H2O4/c21-17-20(19-11-5-6-12-19,18-9-3-1-4-10-18)13-16-22-14-7-2-8-15-22;3-1(4)2(5)6/h1,3-4,9-10,19H,2,5-8,11-16H2;(H,3,4)(H,5,6)
InChIKeyHJUSTFJLJWBOGT-UHFFFAOYSA-N
XLogP3.67
TPSA101.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.49
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-cyclopentyl-2-phenyl-4-piperidin-1-ylbutanenitrile;oxalic acid 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

Oxalic acid;1-(4-phenylcyclohexyl)-4-pyrrolidin-1-ylpiperidine
CID 2911895
Oxalic acid;2-(3-piperidin-1-ylpropyl)tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-2-carbonitrile
CID 23723097
Oxalic acid;1-(2-phenylpropyl)piperidine
CID 23724331
4-(4-Benzylphenyl)-1-methylpiperidine;oxalic acid
CID 90674648
Spiro(5H-dibenzo(a,d)cycloheptene-5,1'-cyclopentane)-3'-methylamine, N,N-dimethyl-, ethanedioate (1:1)
CID 3039898
1-(4-Cyano-4,4-diphenyl-butyl)-piperidine-4-carboxylic acid
CID 11689833
3-Methyl-1-phenyl-3-azabicyclo[3.1.0]hexane;oxalic acid
CID 46907275
4-(3-Benzylphenyl)-1-methylpiperidine;oxalic acid
CID 90674647
1-(2-Bicyclo[2.2.1]hept-5-enylmethyl)-4-(3-phenylpropyl)piperazine;oxalic acid
CID 17366885
alpha,alpha-Diphenyl-4-morpholinebutyronitrile oxalate
CID 24840211
alpha-Isobutyl-alpha-phenyl-1-piperidinebutyronitrile oxalate
CID 24842569
alpha-Phenyl-1-piperidinebutyronitrile oxalate
CID 24842571

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-2-phenyl-4-piperidin-1-ylbutanenitrile;oxalic acid?
The IUPAC name of 2-cyclopentyl-2-phenyl-4-piperidin-1-ylbutanenitrile;oxalic acid (CID 24842566) is 2-cyclopentyl-2-phenyl-4-piperidin-1-ylbutanenitrile;oxalic acid.
What is the SMILES notation for 2-cyclopentyl-2-phenyl-4-piperidin-1-ylbutanenitrile;oxalic acid?
The canonical SMILES for 2-cyclopentyl-2-phenyl-4-piperidin-1-ylbutanenitrile;oxalic acid is N#CC(CCN1CCCCC1)(c1ccccc1)C1CCCC1.O=C(O)C(=O)O.
What is the InChIKey of 2-cyclopentyl-2-phenyl-4-piperidin-1-ylbutanenitrile;oxalic acid?
The InChIKey is HJUSTFJLJWBOGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2.C2H2O4/c21-17-20(19-11-5-6-12-19,18-9-3-1-4-10-18)13-16-22-14-7-2-8-15-22;3-1(4)2(5)6/h1,3-4,9-10,19H,2,5-8,11-16H2;(H,3,4)(H,5,6).
What are the key properties of 2-cyclopentyl-2-phenyl-4-piperidin-1-ylbutanenitrile;oxalic acid?
2-cyclopentyl-2-phenyl-4-piperidin-1-ylbutanenitrile;oxalic acid has a molecular weight of 386.49 g/mol, XLogP of 3.67, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-2-phenyl-4-piperidin-1-ylbutanenitrile;oxalic acid is sourced from PubChem (CID 24842566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).