N-(2-aminoethyl)-1-(2-ethoxyethyl)piperidine-3-carboxamide

C12H25N3O2 — CID 63252840

IUPACN-(2-aminoethyl)-1-(2-ethoxyethyl)piperidine-3-carboxamide
SMILESCCOCCN1CCCC(C(=O)NCCN)C1
InChIInChI=1S/C12H25N3O2/c1-2-17-9-8-15-7-3-4-11(10-15)12(16)14-6-5-13/h11H,2-10,13H2,1H3,(H,14,16)
InChIKeyJLVCSMLFJVRDNY-UHFFFAOYSA-N
MW243.35 g/mol
LogP-0.19
Rot. Bonds7

About N-(2-aminoethyl)-1-(2-ethoxyethyl)piperidine-3-carboxamide

N-(2-aminoethyl)-1-(2-ethoxyethyl)piperidine-3-carboxamide (PubChem CID 63252840) has the molecular formula C12H25N3O2 and a molecular weight of 243.35 g/mol. Its IUPAC name is N-(2-aminoethyl)-1-(2-ethoxyethyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-1-(2-ethoxyethyl)piperidine-3-carboxamide
PubChem CID63252840
Molecular FormulaC12H25N3O2
Molecular Weight243.35 g/mol
Exact Mass243.19
IUPAC NameN-(2-aminoethyl)-1-(2-ethoxyethyl)piperidine-3-carboxamide
SMILESCCOCCN1CCCC(C(=O)NCCN)C1
InChIInChI=1S/C12H25N3O2/c1-2-17-9-8-15-7-3-4-11(10-15)12(16)14-6-5-13/h11H,2-10,13H2,1H3,(H,14,16)
InChIKeyJLVCSMLFJVRDNY-UHFFFAOYSA-N
XLogP-0.19
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-aminoethyl)-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-3-carboxamide
CID 63252709
N-(2-aminoethyl)-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-3-carboxamide;hydrochloride
CID 119916688
N-(2-aminoethyl)-1-(2-hydroxyethyl)piperidine-3-carboxamide
CID 63253182
N-(2-aminoethyl)-1-[2-(4-propoxyphenoxy)ethyl]piperidine-3-carboxamide
CID 119916827
N-(2-aminoethyl)-1-[2-(dimethylamino)ethyl]piperidine-3-carboxamide
CID 63253004
N-(2-aminoethyl)-1-[4-(methylamino)-4-oxobutyl]piperidine-3-carboxamide
CID 63891883
methyl (3S)-1-(2-ethoxyethyl)piperidine-3-carboxylate
CID 79038653
N-(2-aminoethyl)-1-(2-ethoxyethylsulfonyl)piperidine-3-carboxamide
CID 63253090
1-[2-(2-aminoethoxy)ethyl]-N-methylpiperidine-3-carboxamide
CID 103482277
(3R)-N-(3-ethoxypropyl)-1-methylpiperidine-3-carboxamide
CID 99970155
N-(2-aminoethyl)-1-[2-(4-fluorophenoxy)ethyl]piperidine-3-carboxamide
CID 119916756
1-butyl-N-propylpiperidine-3-carboxamide
CID 60606926

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-1-(2-ethoxyethyl)piperidine-3-carboxamide?
The IUPAC name of N-(2-aminoethyl)-1-(2-ethoxyethyl)piperidine-3-carboxamide (CID 63252840) is N-(2-aminoethyl)-1-(2-ethoxyethyl)piperidine-3-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-1-(2-ethoxyethyl)piperidine-3-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-1-(2-ethoxyethyl)piperidine-3-carboxamide is CCOCCN1CCCC(C(=O)NCCN)C1.
What is the InChIKey of N-(2-aminoethyl)-1-(2-ethoxyethyl)piperidine-3-carboxamide?
The InChIKey is JLVCSMLFJVRDNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2/c1-2-17-9-8-15-7-3-4-11(10-15)12(16)14-6-5-13/h11H,2-10,13H2,1H3,(H,14,16).
What are the key properties of N-(2-aminoethyl)-1-(2-ethoxyethyl)piperidine-3-carboxamide?
N-(2-aminoethyl)-1-(2-ethoxyethyl)piperidine-3-carboxamide has a molecular weight of 243.35 g/mol, XLogP of -0.19, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-1-(2-ethoxyethyl)piperidine-3-carboxamide is sourced from PubChem (CID 63252840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).