2-[1-(octadecylcarbamoyl)piperidin-2-yl]ethyl N-[3-(dimethylamino)propyl]carbamate;hydrochloride

C32H65ClN4O3 — CID 15897843

IUPAC2-[1-(octadecylcarbamoyl)piperidin-2-yl]ethyl N-[3-(dimethylamino)propyl]carbamate;hydrochloride
SMILESCCCCCCCCCCCCCCCCCCNC(=O)N1CCCCC1CCOC(=O)NCCCN(C)C.Cl
InChIInChI=1S/C32H64N4O3.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-25-33-31(37)36-28-21-19-23-30(36)24-29-39-32(38)34-26-22-27-35(2)3;/h30H,4-29H2,1-3H3,(H,33,37)(H,34,38);1H
InChIKeyBIVJKHWTXTYHKI-UHFFFAOYSA-N
MW589.35 g/mol
LogP8.30
Rot. Bonds24

About 2-[1-(octadecylcarbamoyl)piperidin-2-yl]ethyl N-[3-(dimethylamino)propyl]carbamate;hydrochloride

2-[1-(octadecylcarbamoyl)piperidin-2-yl]ethyl N-[3-(dimethylamino)propyl]carbamate;hydrochloride (PubChem CID 15897843) has the molecular formula C32H65ClN4O3 and a molecular weight of 589.35 g/mol. Its IUPAC name is 2-[1-(octadecylcarbamoyl)piperidin-2-yl]ethyl N-[3-(dimethylamino)propyl]carbamate;hydrochloride.

Molecular Properties

Compound Name2-[1-(octadecylcarbamoyl)piperidin-2-yl]ethyl N-[3-(dimethylamino)propyl]carbamate;hydrochloride
PubChem CID15897843
Molecular FormulaC32H65ClN4O3
Molecular Weight589.35 g/mol
Exact Mass588.47
IUPAC Name2-[1-(octadecylcarbamoyl)piperidin-2-yl]ethyl N-[3-(dimethylamino)propyl]carbamate;hydrochloride
SMILESCCCCCCCCCCCCCCCCCCNC(=O)N1CCCCC1CCOC(=O)NCCCN(C)C.Cl
InChIInChI=1S/C32H64N4O3.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-25-33-31(37)36-28-21-19-23-30(36)24-29-39-32(38)34-26-22-27-35(2)3;/h30H,4-29H2,1-3H3,(H,33,37)(H,34,38);1H
InChIKeyBIVJKHWTXTYHKI-UHFFFAOYSA-N
XLogP8.30
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds24
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500589.35
LogP ≤ 58.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[1-(octadecylcarbamoyl)piperidin-2-yl]ethyl N-[3-(dimethylamino)propyl]carbamate;hydrochloride 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-(octadecylcarbamoyl)piperidin-2-yl]ethyl N-[3-(dimethylamino)propyl]carbamate;hydrochloride?
The IUPAC name of 2-[1-(octadecylcarbamoyl)piperidin-2-yl]ethyl N-[3-(dimethylamino)propyl]carbamate;hydrochloride (CID 15897843) is 2-[1-(octadecylcarbamoyl)piperidin-2-yl]ethyl N-[3-(dimethylamino)propyl]carbamate;hydrochloride.
What is the SMILES notation for 2-[1-(octadecylcarbamoyl)piperidin-2-yl]ethyl N-[3-(dimethylamino)propyl]carbamate;hydrochloride?
The canonical SMILES for 2-[1-(octadecylcarbamoyl)piperidin-2-yl]ethyl N-[3-(dimethylamino)propyl]carbamate;hydrochloride is CCCCCCCCCCCCCCCCCCNC(=O)N1CCCCC1CCOC(=O)NCCCN(C)C.Cl.
What is the InChIKey of 2-[1-(octadecylcarbamoyl)piperidin-2-yl]ethyl N-[3-(dimethylamino)propyl]carbamate;hydrochloride?
The InChIKey is BIVJKHWTXTYHKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H64N4O3.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-25-33-31(37)36-28-21-19-23-30(36)24-29-39-32(38)34-26-22-27-35(2)3;/h30H,4-29H2,1-3H3,(H,33,37)(H,34,38);1H.
What are the key properties of 2-[1-(octadecylcarbamoyl)piperidin-2-yl]ethyl N-[3-(dimethylamino)propyl]carbamate;hydrochloride?
2-[1-(octadecylcarbamoyl)piperidin-2-yl]ethyl N-[3-(dimethylamino)propyl]carbamate;hydrochloride has a molecular weight of 589.35 g/mol, XLogP of 8.30, 24 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(octadecylcarbamoyl)piperidin-2-yl]ethyl N-[3-(dimethylamino)propyl]carbamate;hydrochloride is sourced from PubChem (CID 15897843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).