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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Related Compounds

6-oxo-N-(2-piperidin-1-ylethyl)pyran-3-carboxamide
CID 662532
methyl (E)-4-[[(3S)-1-[(2E,4Z)-2-methylhexa-2,4-dienoyl]piperidine-3-carbonyl]amino]but-2-enoate
CID 155371268
methyl (E)-5-[[(3S)-1-[(2E,4Z)-2-ethenylhexa-2,4-dienoyl]piperidine-3-carbonyl]amino]pent-2-enoate
CID 155371296
methyl (E)-4-[[(3S)-1-[(2E,4Z)-2-methylhepta-2,4,6-trienoyl]piperidine-3-carbonyl]amino]but-2-enoate
CID 156560317
methyl (E)-5-[[(3S)-1-[(2E,4Z)-2-methylhepta-2,4,6-trienoyl]piperidine-3-carbonyl]amino]pent-2-enoate
CID 156560514
6-oxo-N-(2-piperidin-1-ium-1-ylethyl)pyran-3-carboxamide
CID 6955708
6-oxo-N-(3-piperazin-1-ylpropyl)pyran-3-carboxamide
CID 43443269
6-oxo-N-(2-piperazin-1-ylethyl)pyran-3-carboxamide
CID 43600200
N-methyl-6-oxo-N-piperidin-4-ylpyran-3-carboxamide
CID 43602232
Methyl 4-[2-[(6-oxopyran-3-carbonyl)amino]ethyl]piperazine-1-carboxylate
CID 49724490
6-oxo-N-piperidin-4-yl-N-propylpyran-3-carboxamide
CID 54923396
5-[4-(Methylaminomethyl)piperidine-1-carbonyl]pyran-2-one
CID 55176058

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).