N-[3-(dimethylamino)propyl]-2-(2-hydroxyethyl)piperidine-1-carboxamide

C13H27N3O2 — CID 18789454

IUPACN-[3-(dimethylamino)propyl]-2-(2-hydroxyethyl)piperidine-1-carboxamide
SMILESCN(C)CCCNC(=O)N1CCCCC1CCO
InChIInChI=1S/C13H27N3O2/c1-15(2)9-5-8-14-13(18)16-10-4-3-6-12(16)7-11-17/h12,17H,3-11H2,1-2H3,(H,14,18)
InChIKeySCUOEOIJOZOUON-UHFFFAOYSA-N
MW257.38 g/mol
LogP0.88
Rot. Bonds6

About N-[3-(dimethylamino)propyl]-2-(2-hydroxyethyl)piperidine-1-carboxamide

N-[3-(dimethylamino)propyl]-2-(2-hydroxyethyl)piperidine-1-carboxamide (PubChem CID 18789454) has the molecular formula C13H27N3O2 and a molecular weight of 257.38 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-2-(2-hydroxyethyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-2-(2-hydroxyethyl)piperidine-1-carboxamide
PubChem CID18789454
Molecular FormulaC13H27N3O2
Molecular Weight257.38 g/mol
Exact Mass257.21
IUPAC NameN-[3-(dimethylamino)propyl]-2-(2-hydroxyethyl)piperidine-1-carboxamide
SMILESCN(C)CCCNC(=O)N1CCCCC1CCO
InChIInChI=1S/C13H27N3O2/c1-15(2)9-5-8-14-13(18)16-10-4-3-6-12(16)7-11-17/h12,17H,3-11H2,1-2H3,(H,14,18)
InChIKeySCUOEOIJOZOUON-UHFFFAOYSA-N
XLogP0.88
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-2-(2-hydroxyethyl)piperidine-1-carboxamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-2-(2-hydroxyethyl)piperidine-1-carboxamide (CID 18789454) is N-[3-(dimethylamino)propyl]-2-(2-hydroxyethyl)piperidine-1-carboxamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-2-(2-hydroxyethyl)piperidine-1-carboxamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-2-(2-hydroxyethyl)piperidine-1-carboxamide is CN(C)CCCNC(=O)N1CCCCC1CCO.
What is the InChIKey of N-[3-(dimethylamino)propyl]-2-(2-hydroxyethyl)piperidine-1-carboxamide?
The InChIKey is SCUOEOIJOZOUON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2/c1-15(2)9-5-8-14-13(18)16-10-4-3-6-12(16)7-11-17/h12,17H,3-11H2,1-2H3,(H,14,18).
What are the key properties of N-[3-(dimethylamino)propyl]-2-(2-hydroxyethyl)piperidine-1-carboxamide?
N-[3-(dimethylamino)propyl]-2-(2-hydroxyethyl)piperidine-1-carboxamide has a molecular weight of 257.38 g/mol, XLogP of 0.88, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-2-(2-hydroxyethyl)piperidine-1-carboxamide is sourced from PubChem (CID 18789454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).