N-(2-aminoethyl)-1-[3-(5-chloro-3-methyl-1,2-oxazol-4-yl)propanoyl]piperidine-3-carboxamide

C15H23ClN4O3 — CID 119479646

IUPACN-(2-aminoethyl)-1-[3-(5-chloro-3-methyl-1,2-oxazol-4-yl)propanoyl]piperidine-3-carboxamide
SMILESCc1noc(Cl)c1CCC(=O)N1CCCC(C(=O)NCCN)C1
InChIInChI=1S/C15H23ClN4O3/c1-10-12(14(16)23-19-10)4-5-13(21)20-8-2-3-11(9-20)15(22)18-7-6-17/h11H,2-9,17H2,1H3,(H,18,22)
InChIKeyFGGKIKWGNZGGJW-UHFFFAOYSA-N
MW342.83 g/mol
LogP0.88
Rot. Bonds6

About N-(2-aminoethyl)-1-[3-(5-chloro-3-methyl-1,2-oxazol-4-yl)propanoyl]piperidine-3-carboxamide

N-(2-aminoethyl)-1-[3-(5-chloro-3-methyl-1,2-oxazol-4-yl)propanoyl]piperidine-3-carboxamide (PubChem CID 119479646) has the molecular formula C15H23ClN4O3 and a molecular weight of 342.83 g/mol. Its IUPAC name is N-(2-aminoethyl)-1-[3-(5-chloro-3-methyl-1,2-oxazol-4-yl)propanoyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-1-[3-(5-chloro-3-methyl-1,2-oxazol-4-yl)propanoyl]piperidine-3-carboxamide
PubChem CID119479646
Molecular FormulaC15H23ClN4O3
Molecular Weight342.83 g/mol
Exact Mass342.15
IUPAC NameN-(2-aminoethyl)-1-[3-(5-chloro-3-methyl-1,2-oxazol-4-yl)propanoyl]piperidine-3-carboxamide
SMILESCc1noc(Cl)c1CCC(=O)N1CCCC(C(=O)NCCN)C1
InChIInChI=1S/C15H23ClN4O3/c1-10-12(14(16)23-19-10)4-5-13(21)20-8-2-3-11(9-20)15(22)18-7-6-17/h11H,2-9,17H2,1H3,(H,18,22)
InChIKeyFGGKIKWGNZGGJW-UHFFFAOYSA-N
XLogP0.88
TPSA101.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.83
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-aminoethyl)-1-[3-(4-chlorophenyl)propanoyl]piperidine-3-carboxamide;hydrochloride
CID 119479751
3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-1-[3-(methylaminomethyl)piperidin-1-yl]propan-1-one
CID 119395228
1-[(3R)-3-aminopyrrolidin-1-yl]-3-(5-chloro-3-methyl-1,2-oxazol-4-yl)propan-1-one
CID 119409653
N-(2-aminoethyl)-1-propanoylpiperidine-3-carboxamide;hydrochloride
CID 119385384
N-(2-aminoethyl)-1-[3-(4-fluorophenyl)propanoyl]piperidine-3-carboxamide
CID 119479232
N-(2-aminoethyl)-1-[3-(4-fluorophenyl)propanoyl]piperidine-3-carboxamide;hydrochloride
CID 119479231
N-(2-aminoethyl)-1-[3-(3,5-dimethyl-4-nitropyrazol-1-yl)propanoyl]piperidine-3-carboxamide;hydrochloride
CID 119482394
N-(2-aminoethyl)-1-pent-4-enoylpiperidine-3-carboxamide
CID 63251976
N-(2-aminoethyl)-1-(3-propoxypropanoyl)piperidine-3-carboxamide
CID 63252023
1-(3-aminopropanoyl)-N-propylpiperidine-3-carboxamide;hydrochloride
CID 119311754
N-(2-aminoethyl)-1-(2,4-dimethyl-1,3-oxazole-5-carbonyl)piperidine-3-carboxamide;hydrochloride
CID 119481606
N-(2-aminoethyl)-1-(4-cyclopentylbutanoyl)piperidine-3-carboxamide
CID 119482463

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-1-[3-(5-chloro-3-methyl-1,2-oxazol-4-yl)propanoyl]piperidine-3-carboxamide?
The IUPAC name of N-(2-aminoethyl)-1-[3-(5-chloro-3-methyl-1,2-oxazol-4-yl)propanoyl]piperidine-3-carboxamide (CID 119479646) is N-(2-aminoethyl)-1-[3-(5-chloro-3-methyl-1,2-oxazol-4-yl)propanoyl]piperidine-3-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-1-[3-(5-chloro-3-methyl-1,2-oxazol-4-yl)propanoyl]piperidine-3-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-1-[3-(5-chloro-3-methyl-1,2-oxazol-4-yl)propanoyl]piperidine-3-carboxamide is Cc1noc(Cl)c1CCC(=O)N1CCCC(C(=O)NCCN)C1.
What is the InChIKey of N-(2-aminoethyl)-1-[3-(5-chloro-3-methyl-1,2-oxazol-4-yl)propanoyl]piperidine-3-carboxamide?
The InChIKey is FGGKIKWGNZGGJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN4O3/c1-10-12(14(16)23-19-10)4-5-13(21)20-8-2-3-11(9-20)15(22)18-7-6-17/h11H,2-9,17H2,1H3,(H,18,22).
What are the key properties of N-(2-aminoethyl)-1-[3-(5-chloro-3-methyl-1,2-oxazol-4-yl)propanoyl]piperidine-3-carboxamide?
N-(2-aminoethyl)-1-[3-(5-chloro-3-methyl-1,2-oxazol-4-yl)propanoyl]piperidine-3-carboxamide has a molecular weight of 342.83 g/mol, XLogP of 0.88, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-1-[3-(5-chloro-3-methyl-1,2-oxazol-4-yl)propanoyl]piperidine-3-carboxamide is sourced from PubChem (CID 119479646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).