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

C14H27N3O3 — CID 63252023

IUPACN-(2-aminoethyl)-1-(3-propoxypropanoyl)piperidine-3-carboxamide
SMILESCCCOCCC(=O)N1CCCC(C(=O)NCCN)C1
InChIInChI=1S/C14H27N3O3/c1-2-9-20-10-5-13(18)17-8-3-4-12(11-17)14(19)16-7-6-15/h12H,2-11,15H2,1H3,(H,16,19)
InChIKeyRBPPBEBLDIVRJA-UHFFFAOYSA-N
MW285.39 g/mol
LogP0.12
Rot. Bonds8

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

N-(2-aminoethyl)-1-(3-propoxypropanoyl)piperidine-3-carboxamide (PubChem CID 63252023) has the molecular formula C14H27N3O3 and a molecular weight of 285.39 g/mol. Its IUPAC name is N-(2-aminoethyl)-1-(3-propoxypropanoyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-1-(3-propoxypropanoyl)piperidine-3-carboxamide
PubChem CID63252023
Molecular FormulaC14H27N3O3
Molecular Weight285.39 g/mol
Exact Mass285.21
IUPAC NameN-(2-aminoethyl)-1-(3-propoxypropanoyl)piperidine-3-carboxamide
SMILESCCCOCCC(=O)N1CCCC(C(=O)NCCN)C1
InChIInChI=1S/C14H27N3O3/c1-2-9-20-10-5-13(18)17-8-3-4-12(11-17)14(19)16-7-6-15/h12H,2-11,15H2,1H3,(H,16,19)
InChIKeyRBPPBEBLDIVRJA-UHFFFAOYSA-N
XLogP0.12
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 50.12
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

1-(3-aminopropanoyl)-N-propylpiperidine-3-carboxamide;hydrochloride
CID 119311754
N-(2-aminoethyl)-1-propanoylpiperidine-3-carboxamide;hydrochloride
CID 119385384
N-(3-aminopropyl)-1-butanoylpiperidine-3-carboxamide;hydrochloride
CID 119407805
ethyl 1-(3-propoxypropanoyl)piperidine-3-carboxylate
CID 62716842
N-(2-aminoethyl)-1-pent-4-enoylpiperidine-3-carboxamide
CID 63251976
N-(2-aminoethyl)-1-(4-cyclopentylbutanoyl)piperidine-3-carboxamide
CID 119482463
N-(2-aminoethyl)-1-[2-(cyclopropylmethoxy)acetyl]piperidine-3-carboxamide
CID 119482315
methyl 3-[(1-butanoylpiperidine-3-carbonyl)amino]propanoate
CID 60527593
N-(2-aminoethyl)-1-(3,3-dimethylbutanoyl)piperidine-3-carboxamide;hydrochloride
CID 119479684
N-(2-aminoethyl)-1-[4-(4-methoxyphenoxy)butanoyl]piperidine-3-carboxamide
CID 119479382
N-(2-aminoethyl)-1-(2-cyclobutylacetyl)piperidine-3-carboxamide
CID 103806108
N-(2-aminoethyl)-1-[4-(4-methoxyphenoxy)butanoyl]piperidine-3-carboxamide;hydrochloride
CID 119479381

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-1-(3-propoxypropanoyl)piperidine-3-carboxamide?
The IUPAC name of N-(2-aminoethyl)-1-(3-propoxypropanoyl)piperidine-3-carboxamide (CID 63252023) is N-(2-aminoethyl)-1-(3-propoxypropanoyl)piperidine-3-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-1-(3-propoxypropanoyl)piperidine-3-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-1-(3-propoxypropanoyl)piperidine-3-carboxamide is CCCOCCC(=O)N1CCCC(C(=O)NCCN)C1.
What is the InChIKey of N-(2-aminoethyl)-1-(3-propoxypropanoyl)piperidine-3-carboxamide?
The InChIKey is RBPPBEBLDIVRJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O3/c1-2-9-20-10-5-13(18)17-8-3-4-12(11-17)14(19)16-7-6-15/h12H,2-11,15H2,1H3,(H,16,19).
What are the key properties of N-(2-aminoethyl)-1-(3-propoxypropanoyl)piperidine-3-carboxamide?
N-(2-aminoethyl)-1-(3-propoxypropanoyl)piperidine-3-carboxamide has a molecular weight of 285.39 g/mol, XLogP of 0.12, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-1-(3-propoxypropanoyl)piperidine-3-carboxamide is sourced from PubChem (CID 63252023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).