N-(2-aminoethyl)-1-(1-ethylcyclobutanecarbonyl)piperidine-3-carboxamide;hydrochloride

C15H28ClN3O2 — CID 119480453

IUPACN-(2-aminoethyl)-1-(1-ethylcyclobutanecarbonyl)piperidine-3-carboxamide;hydrochloride
SMILESCCC1(C(=O)N2CCCC(C(=O)NCCN)C2)CCC1.Cl
InChIInChI=1S/C15H27N3O2.ClH/c1-2-15(6-4-7-15)14(20)18-10-3-5-12(11-18)13(19)17-9-8-16;/h12H,2-11,16H2,1H3,(H,17,19);1H
InChIKeyCMBSUHTWLLRWRJ-UHFFFAOYSA-N
MW317.86 g/mol
LogP1.30
Rot. Bonds5

About N-(2-aminoethyl)-1-(1-ethylcyclobutanecarbonyl)piperidine-3-carboxamide;hydrochloride

N-(2-aminoethyl)-1-(1-ethylcyclobutanecarbonyl)piperidine-3-carboxamide;hydrochloride (PubChem CID 119480453) has the molecular formula C15H28ClN3O2 and a molecular weight of 317.86 g/mol. Its IUPAC name is N-(2-aminoethyl)-1-(1-ethylcyclobutanecarbonyl)piperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-aminoethyl)-1-(1-ethylcyclobutanecarbonyl)piperidine-3-carboxamide;hydrochloride
PubChem CID119480453
Molecular FormulaC15H28ClN3O2
Molecular Weight317.86 g/mol
Exact Mass317.19
IUPAC NameN-(2-aminoethyl)-1-(1-ethylcyclobutanecarbonyl)piperidine-3-carboxamide;hydrochloride
SMILESCCC1(C(=O)N2CCCC(C(=O)NCCN)C2)CCC1.Cl
InChIInChI=1S/C15H27N3O2.ClH/c1-2-15(6-4-7-15)14(20)18-10-3-5-12(11-18)13(19)17-9-8-16;/h12H,2-11,16H2,1H3,(H,17,19);1H
InChIKeyCMBSUHTWLLRWRJ-UHFFFAOYSA-N
XLogP1.30
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.86
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminoethyl)-1-[1-(2-methylpropyl)cyclopentanecarbonyl]piperidine-3-carboxamide
CID 119479640
N-(2-aminoethyl)-1-propanoylpiperidine-3-carboxamide;hydrochloride
CID 119385384
(3R)-1-(1-ethylcyclobutanecarbonyl)piperidine-3-carboxylic acid
CID 124576606
N-(2-aminoethyl)-1-(2-cyclohexylacetyl)piperidine-3-carboxamide;hydrochloride
CID 119260266
N-(2-aminoethyl)-1-(2-cyclobutylacetyl)piperidine-3-carboxamide
CID 103806108
N-(2-aminoethyl)-1-(2-methoxypropanoyl)piperidine-3-carboxamide;hydrochloride
CID 119482363
N-(2-aminoethyl)-1-(1-propylpyrrolidine-2-carbonyl)piperidine-3-carboxamide;dihydrochloride
CID 119479435
N-(2-aminoethyl)-1-(3,3-dimethylbutanoyl)piperidine-3-carboxamide;hydrochloride
CID 119479684
N-(2-aminoethyl)-1-(2,2-dimethylcyclopentanecarbonyl)piperidine-3-carboxamide
CID 107180717
N-(2-aminoethyl)-1-[2-(azepan-1-yl)propanoyl]piperidine-3-carboxamide;dihydrochloride
CID 119479980
N-(2-aminoethyl)-1-[1-(2-methylphenyl)cyclohexanecarbonyl]piperidine-3-carboxamide
CID 119480049
1-(3-aminopropanoyl)-N-propylpiperidine-3-carboxamide;hydrochloride
CID 119311754

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-1-(1-ethylcyclobutanecarbonyl)piperidine-3-carboxamide;hydrochloride?
The IUPAC name of N-(2-aminoethyl)-1-(1-ethylcyclobutanecarbonyl)piperidine-3-carboxamide;hydrochloride (CID 119480453) is N-(2-aminoethyl)-1-(1-ethylcyclobutanecarbonyl)piperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-aminoethyl)-1-(1-ethylcyclobutanecarbonyl)piperidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-(2-aminoethyl)-1-(1-ethylcyclobutanecarbonyl)piperidine-3-carboxamide;hydrochloride is CCC1(C(=O)N2CCCC(C(=O)NCCN)C2)CCC1.Cl.
What is the InChIKey of N-(2-aminoethyl)-1-(1-ethylcyclobutanecarbonyl)piperidine-3-carboxamide;hydrochloride?
The InChIKey is CMBSUHTWLLRWRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2.ClH/c1-2-15(6-4-7-15)14(20)18-10-3-5-12(11-18)13(19)17-9-8-16;/h12H,2-11,16H2,1H3,(H,17,19);1H.
What are the key properties of N-(2-aminoethyl)-1-(1-ethylcyclobutanecarbonyl)piperidine-3-carboxamide;hydrochloride?
N-(2-aminoethyl)-1-(1-ethylcyclobutanecarbonyl)piperidine-3-carboxamide;hydrochloride has a molecular weight of 317.86 g/mol, XLogP of 1.30, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-1-(1-ethylcyclobutanecarbonyl)piperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119480453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).