butyl N-(1-piperidin-4-ylpropan-2-yl)carbamate

C13H26N2O2 — CID 69064063

IUPACbutyl N-(1-piperidin-4-ylpropan-2-yl)carbamate
SMILESCCCCOC(=O)NC(C)CC1CCNCC1
InChIInChI=1S/C13H26N2O2/c1-3-4-9-17-13(16)15-11(2)10-12-5-7-14-8-6-12/h11-12,14H,3-10H2,1-2H3,(H,15,16)
InChIKeyXJMCCNVTDJYCBH-UHFFFAOYSA-N
MW242.36 g/mol
LogP2.29
Rot. Bonds6

About butyl N-(1-piperidin-4-ylpropan-2-yl)carbamate

butyl N-(1-piperidin-4-ylpropan-2-yl)carbamate (PubChem CID 69064063) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is butyl N-(1-piperidin-4-ylpropan-2-yl)carbamate.

Molecular Properties

Compound Namebutyl N-(1-piperidin-4-ylpropan-2-yl)carbamate
PubChem CID69064063
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Namebutyl N-(1-piperidin-4-ylpropan-2-yl)carbamate
SMILESCCCCOC(=O)NC(C)CC1CCNCC1
InChIInChI=1S/C13H26N2O2/c1-3-4-9-17-13(16)15-11(2)10-12-5-7-14-8-6-12/h11-12,14H,3-10H2,1-2H3,(H,15,16)
InChIKeyXJMCCNVTDJYCBH-UHFFFAOYSA-N
XLogP2.29
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze butyl N-(1-piperidin-4-ylpropan-2-yl)carbamate 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 butyl N-(1-piperidin-4-ylpropan-2-yl)carbamate?
The IUPAC name of butyl N-(1-piperidin-4-ylpropan-2-yl)carbamate (CID 69064063) is butyl N-(1-piperidin-4-ylpropan-2-yl)carbamate.
What is the SMILES notation for butyl N-(1-piperidin-4-ylpropan-2-yl)carbamate?
The canonical SMILES for butyl N-(1-piperidin-4-ylpropan-2-yl)carbamate is CCCCOC(=O)NC(C)CC1CCNCC1.
What is the InChIKey of butyl N-(1-piperidin-4-ylpropan-2-yl)carbamate?
The InChIKey is XJMCCNVTDJYCBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-3-4-9-17-13(16)15-11(2)10-12-5-7-14-8-6-12/h11-12,14H,3-10H2,1-2H3,(H,15,16).
What are the key properties of butyl N-(1-piperidin-4-ylpropan-2-yl)carbamate?
butyl N-(1-piperidin-4-ylpropan-2-yl)carbamate has a molecular weight of 242.36 g/mol, XLogP of 2.29, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butyl N-(1-piperidin-4-ylpropan-2-yl)carbamate is sourced from PubChem (CID 69064063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).