[2-(1-aminoethyl)piperidin-1-yl]-(2-naphthalen-2-ylcyclopropyl)methanone

C21H26N2O — CID 119436442

IUPAC[2-(1-aminoethyl)piperidin-1-yl]-(2-naphthalen-2-ylcyclopropyl)methanone
SMILESCC(N)C1CCCCN1C(=O)C1CC1c1ccc2ccccc2c1
InChIInChI=1S/C21H26N2O/c1-14(22)20-8-4-5-11-23(20)21(24)19-13-18(19)17-10-9-15-6-2-3-7-16(15)12-17/h2-3,6-7,9-10,12,14,18-20H,4-5,8,11,13,22H2,1H3
InChIKeyFPHHJDCOJDFTLG-UHFFFAOYSA-N
MW322.45 g/mol
LogP3.67
Rot. Bonds3

About [2-(1-aminoethyl)piperidin-1-yl]-(2-naphthalen-2-ylcyclopropyl)methanone

[2-(1-aminoethyl)piperidin-1-yl]-(2-naphthalen-2-ylcyclopropyl)methanone (PubChem CID 119436442) has the molecular formula C21H26N2O and a molecular weight of 322.45 g/mol. Its IUPAC name is [2-(1-aminoethyl)piperidin-1-yl]-(2-naphthalen-2-ylcyclopropyl)methanone.

Molecular Properties

Compound Name[2-(1-aminoethyl)piperidin-1-yl]-(2-naphthalen-2-ylcyclopropyl)methanone
PubChem CID119436442
Molecular FormulaC21H26N2O
Molecular Weight322.45 g/mol
Exact Mass322.20
IUPAC Name[2-(1-aminoethyl)piperidin-1-yl]-(2-naphthalen-2-ylcyclopropyl)methanone
SMILESCC(N)C1CCCCN1C(=O)C1CC1c1ccc2ccccc2c1
InChIInChI=1S/C21H26N2O/c1-14(22)20-8-4-5-11-23(20)21(24)19-13-18(19)17-10-9-15-6-2-3-7-16(15)12-17/h2-3,6-7,9-10,12,14,18-20H,4-5,8,11,13,22H2,1H3
InChIKeyFPHHJDCOJDFTLG-UHFFFAOYSA-N
XLogP3.67
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [2-(1-aminoethyl)piperidin-1-yl]-(2-naphthalen-2-ylcyclopropyl)methanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-(1-aminoethyl)piperidin-1-yl]-(2-naphthalen-2-ylcyclopropyl)methanone?
The IUPAC name of [2-(1-aminoethyl)piperidin-1-yl]-(2-naphthalen-2-ylcyclopropyl)methanone (CID 119436442) is [2-(1-aminoethyl)piperidin-1-yl]-(2-naphthalen-2-ylcyclopropyl)methanone.
What is the SMILES notation for [2-(1-aminoethyl)piperidin-1-yl]-(2-naphthalen-2-ylcyclopropyl)methanone?
The canonical SMILES for [2-(1-aminoethyl)piperidin-1-yl]-(2-naphthalen-2-ylcyclopropyl)methanone is CC(N)C1CCCCN1C(=O)C1CC1c1ccc2ccccc2c1.
What is the InChIKey of [2-(1-aminoethyl)piperidin-1-yl]-(2-naphthalen-2-ylcyclopropyl)methanone?
The InChIKey is FPHHJDCOJDFTLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O/c1-14(22)20-8-4-5-11-23(20)21(24)19-13-18(19)17-10-9-15-6-2-3-7-16(15)12-17/h2-3,6-7,9-10,12,14,18-20H,4-5,8,11,13,22H2,1H3.
What are the key properties of [2-(1-aminoethyl)piperidin-1-yl]-(2-naphthalen-2-ylcyclopropyl)methanone?
[2-(1-aminoethyl)piperidin-1-yl]-(2-naphthalen-2-ylcyclopropyl)methanone has a molecular weight of 322.45 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-aminoethyl)piperidin-1-yl]-(2-naphthalen-2-ylcyclopropyl)methanone is sourced from PubChem (CID 119436442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).