2-piperidin-4-ylpropan-2-yl adamantane-2-carboxylate

C19H31NO2 — CID 155075805

IUPAC2-piperidin-4-ylpropan-2-yl adamantane-2-carboxylate
SMILESCC(C)(OC(=O)C1C2CC3CC(C2)CC1C3)C1CCNCC1
InChIInChI=1S/C19H31NO2/c1-19(2,16-3-5-20-6-4-16)22-18(21)17-14-8-12-7-13(10-14)11-15(17)9-12/h12-17,20H,3-11H2,1-2H3
InChIKeyOMNAVYUVOWMGKQ-UHFFFAOYSA-N
MW305.46 g/mol
LogP3.38
Rot. Bonds3

About 2-piperidin-4-ylpropan-2-yl adamantane-2-carboxylate

2-piperidin-4-ylpropan-2-yl adamantane-2-carboxylate (PubChem CID 155075805) has the molecular formula C19H31NO2 and a molecular weight of 305.46 g/mol. Its IUPAC name is 2-piperidin-4-ylpropan-2-yl adamantane-2-carboxylate.

Molecular Properties

Compound Name2-piperidin-4-ylpropan-2-yl adamantane-2-carboxylate
PubChem CID155075805
Molecular FormulaC19H31NO2
Molecular Weight305.46 g/mol
Exact Mass305.24
IUPAC Name2-piperidin-4-ylpropan-2-yl adamantane-2-carboxylate
SMILESCC(C)(OC(=O)C1C2CC3CC(C2)CC1C3)C1CCNCC1
InChIInChI=1S/C19H31NO2/c1-19(2,16-3-5-20-6-4-16)22-18(21)17-14-8-12-7-13(10-14)11-15(17)9-12/h12-17,20H,3-11H2,1-2H3
InChIKeyOMNAVYUVOWMGKQ-UHFFFAOYSA-N
XLogP3.38
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.46
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-piperidin-4-ylpropan-2-yl adamantane-2-carboxylate 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-piperidin-4-ylpropan-2-yl adamantane-2-carboxylate?
The IUPAC name of 2-piperidin-4-ylpropan-2-yl adamantane-2-carboxylate (CID 155075805) is 2-piperidin-4-ylpropan-2-yl adamantane-2-carboxylate.
What is the SMILES notation for 2-piperidin-4-ylpropan-2-yl adamantane-2-carboxylate?
The canonical SMILES for 2-piperidin-4-ylpropan-2-yl adamantane-2-carboxylate is CC(C)(OC(=O)C1C2CC3CC(C2)CC1C3)C1CCNCC1.
What is the InChIKey of 2-piperidin-4-ylpropan-2-yl adamantane-2-carboxylate?
The InChIKey is OMNAVYUVOWMGKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO2/c1-19(2,16-3-5-20-6-4-16)22-18(21)17-14-8-12-7-13(10-14)11-15(17)9-12/h12-17,20H,3-11H2,1-2H3.
What are the key properties of 2-piperidin-4-ylpropan-2-yl adamantane-2-carboxylate?
2-piperidin-4-ylpropan-2-yl adamantane-2-carboxylate has a molecular weight of 305.46 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-4-ylpropan-2-yl adamantane-2-carboxylate is sourced from PubChem (CID 155075805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).