N-(2-aminoethyl)-1-(6-oxopyran-3-carbonyl)piperidine-3-carboxamide

C14H19N3O4 — CID 63252476

IUPACN-(2-aminoethyl)-1-(6-oxopyran-3-carbonyl)piperidine-3-carboxamide
SMILESNCCNC(=O)C1CCCN(C(=O)c2ccc(=O)oc2)C1
InChIInChI=1S/C14H19N3O4/c15-5-6-16-13(19)10-2-1-7-17(8-10)14(20)11-3-4-12(18)21-9-11/h3-4,9-10H,1-2,5-8,15H2,(H,16,19)
InChIKeyUFKTYCKVGIPSLE-UHFFFAOYSA-N
MW293.32 g/mol
LogP-0.43
Rot. Bonds4

About N-(2-aminoethyl)-1-(6-oxopyran-3-carbonyl)piperidine-3-carboxamide

N-(2-aminoethyl)-1-(6-oxopyran-3-carbonyl)piperidine-3-carboxamide (PubChem CID 63252476) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is N-(2-aminoethyl)-1-(6-oxopyran-3-carbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-1-(6-oxopyran-3-carbonyl)piperidine-3-carboxamide
PubChem CID63252476
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC NameN-(2-aminoethyl)-1-(6-oxopyran-3-carbonyl)piperidine-3-carboxamide
SMILESNCCNC(=O)C1CCCN(C(=O)c2ccc(=O)oc2)C1
InChIInChI=1S/C14H19N3O4/c15-5-6-16-13(19)10-2-1-7-17(8-10)14(20)11-3-4-12(18)21-9-11/h3-4,9-10H,1-2,5-8,15H2,(H,16,19)
InChIKeyUFKTYCKVGIPSLE-UHFFFAOYSA-N
XLogP-0.43
TPSA105.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 5-0.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-1-(6-oxopyran-3-carbonyl)piperidine-3-carboxamide?
The IUPAC name of N-(2-aminoethyl)-1-(6-oxopyran-3-carbonyl)piperidine-3-carboxamide (CID 63252476) is N-(2-aminoethyl)-1-(6-oxopyran-3-carbonyl)piperidine-3-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-1-(6-oxopyran-3-carbonyl)piperidine-3-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-1-(6-oxopyran-3-carbonyl)piperidine-3-carboxamide is NCCNC(=O)C1CCCN(C(=O)c2ccc(=O)oc2)C1.
What is the InChIKey of N-(2-aminoethyl)-1-(6-oxopyran-3-carbonyl)piperidine-3-carboxamide?
The InChIKey is UFKTYCKVGIPSLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4/c15-5-6-16-13(19)10-2-1-7-17(8-10)14(20)11-3-4-12(18)21-9-11/h3-4,9-10H,1-2,5-8,15H2,(H,16,19).
What are the key properties of N-(2-aminoethyl)-1-(6-oxopyran-3-carbonyl)piperidine-3-carboxamide?
N-(2-aminoethyl)-1-(6-oxopyran-3-carbonyl)piperidine-3-carboxamide has a molecular weight of 293.32 g/mol, XLogP of -0.43, 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-(6-oxopyran-3-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 63252476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).