N-(2-aminoethyl)-1-(2,4-dimethyl-1,3-oxazole-5-carbonyl)piperidine-3-carboxamide;hydrochloride

C14H23ClN4O3 — CID 119481606

IUPACN-(2-aminoethyl)-1-(2,4-dimethyl-1,3-oxazole-5-carbonyl)piperidine-3-carboxamide;hydrochloride
SMILESCc1nc(C)c(C(=O)N2CCCC(C(=O)NCCN)C2)o1.Cl
InChIInChI=1S/C14H22N4O3.ClH/c1-9-12(21-10(2)17-9)14(20)18-7-3-4-11(8-18)13(19)16-6-5-15;/h11H,3-8,15H2,1-2H3,(H,16,19);1H
InChIKeyMYLVNBOXSXXFHA-UHFFFAOYSA-N
MW330.82 g/mol
LogP0.64
Rot. Bonds4

About N-(2-aminoethyl)-1-(2,4-dimethyl-1,3-oxazole-5-carbonyl)piperidine-3-carboxamide;hydrochloride

N-(2-aminoethyl)-1-(2,4-dimethyl-1,3-oxazole-5-carbonyl)piperidine-3-carboxamide;hydrochloride (PubChem CID 119481606) has the molecular formula C14H23ClN4O3 and a molecular weight of 330.82 g/mol. Its IUPAC name is N-(2-aminoethyl)-1-(2,4-dimethyl-1,3-oxazole-5-carbonyl)piperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-aminoethyl)-1-(2,4-dimethyl-1,3-oxazole-5-carbonyl)piperidine-3-carboxamide;hydrochloride
PubChem CID119481606
Molecular FormulaC14H23ClN4O3
Molecular Weight330.82 g/mol
Exact Mass330.15
IUPAC NameN-(2-aminoethyl)-1-(2,4-dimethyl-1,3-oxazole-5-carbonyl)piperidine-3-carboxamide;hydrochloride
SMILESCc1nc(C)c(C(=O)N2CCCC(C(=O)NCCN)C2)o1.Cl
InChIInChI=1S/C14H22N4O3.ClH/c1-9-12(21-10(2)17-9)14(20)18-7-3-4-11(8-18)13(19)16-6-5-15;/h11H,3-8,15H2,1-2H3,(H,16,19);1H
InChIKeyMYLVNBOXSXXFHA-UHFFFAOYSA-N
XLogP0.64
TPSA101.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.82
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-aminoethyl)-1-(2-methyl-1H-pyrrole-3-carbonyl)piperidine-3-carboxamide;hydrochloride
CID 119482030
N-(2-aminoethyl)-1-(2-methylpyridine-3-carbonyl)piperidine-3-carboxamide;dihydrochloride
CID 119480906
(3R)-1-(2,4-dimethyl-1,3-oxazole-5-carbonyl)-N-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 92633558
N-(2-aminoethyl)-1-(3,7-dimethyl-1-benzofuran-2-carbonyl)piperidine-3-carboxamide
CID 119482356
N-(2-aminoethyl)-1-(2-methyl-1,3-thiazole-5-carbonyl)piperidine-3-carboxamide;hydrochloride
CID 119482370
1-(4-acetylbenzoyl)-N-(2-aminoethyl)piperidine-3-carboxamide;hydrochloride
CID 119479334
N-(2-aminoethyl)-1-propanoylpiperidine-3-carboxamide;hydrochloride
CID 119385384
N-(2-aminoethyl)-1-(3-chloro-4-methylbenzoyl)piperidine-3-carboxamide;hydrochloride
CID 119480975
N-(2-aminoethyl)-1-(4-fluoro-3-methylbenzoyl)piperidine-3-carboxamide;hydrochloride
CID 119481326
N-(2-aminoethyl)-1-(2-benzyl-4-methyl-1,3-thiazole-5-carbonyl)piperidine-3-carboxamide;dihydrochloride
CID 119479488
N-(2-aminoethyl)-1-(3-chloro-4-methylbenzoyl)piperidine-3-carboxamide
CID 119480976
N-(2-aminoethyl)-1-(2,4-dimethylbenzoyl)piperidine-3-carboxamide
CID 119480898

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-1-(2,4-dimethyl-1,3-oxazole-5-carbonyl)piperidine-3-carboxamide;hydrochloride?
The IUPAC name of N-(2-aminoethyl)-1-(2,4-dimethyl-1,3-oxazole-5-carbonyl)piperidine-3-carboxamide;hydrochloride (CID 119481606) is N-(2-aminoethyl)-1-(2,4-dimethyl-1,3-oxazole-5-carbonyl)piperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-aminoethyl)-1-(2,4-dimethyl-1,3-oxazole-5-carbonyl)piperidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-(2-aminoethyl)-1-(2,4-dimethyl-1,3-oxazole-5-carbonyl)piperidine-3-carboxamide;hydrochloride is Cc1nc(C)c(C(=O)N2CCCC(C(=O)NCCN)C2)o1.Cl.
What is the InChIKey of N-(2-aminoethyl)-1-(2,4-dimethyl-1,3-oxazole-5-carbonyl)piperidine-3-carboxamide;hydrochloride?
The InChIKey is MYLVNBOXSXXFHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3.ClH/c1-9-12(21-10(2)17-9)14(20)18-7-3-4-11(8-18)13(19)16-6-5-15;/h11H,3-8,15H2,1-2H3,(H,16,19);1H.
What are the key properties of N-(2-aminoethyl)-1-(2,4-dimethyl-1,3-oxazole-5-carbonyl)piperidine-3-carboxamide;hydrochloride?
N-(2-aminoethyl)-1-(2,4-dimethyl-1,3-oxazole-5-carbonyl)piperidine-3-carboxamide;hydrochloride has a molecular weight of 330.82 g/mol, XLogP of 0.64, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-1-(2,4-dimethyl-1,3-oxazole-5-carbonyl)piperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119481606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).