1-[5-(aminomethyl)furan-2-carbonyl]-N-methylpiperidine-3-carboxamide

C13H19N3O3 — CID 103811056

IUPAC1-[5-(aminomethyl)furan-2-carbonyl]-N-methylpiperidine-3-carboxamide
SMILESCNC(=O)C1CCCN(C(=O)c2ccc(CN)o2)C1
InChIInChI=1S/C13H19N3O3/c1-15-12(17)9-3-2-6-16(8-9)13(18)11-5-4-10(7-14)19-11/h4-5,9H,2-3,6-8,14H2,1H3,(H,15,17)
InChIKeyZEUQQSTUFUFSQT-UHFFFAOYSA-N
MW265.31 g/mol
LogP0.34
Rot. Bonds3

About 1-[5-(aminomethyl)furan-2-carbonyl]-N-methylpiperidine-3-carboxamide

1-[5-(aminomethyl)furan-2-carbonyl]-N-methylpiperidine-3-carboxamide (PubChem CID 103811056) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 1-[5-(aminomethyl)furan-2-carbonyl]-N-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[5-(aminomethyl)furan-2-carbonyl]-N-methylpiperidine-3-carboxamide
PubChem CID103811056
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name1-[5-(aminomethyl)furan-2-carbonyl]-N-methylpiperidine-3-carboxamide
SMILESCNC(=O)C1CCCN(C(=O)c2ccc(CN)o2)C1
InChIInChI=1S/C13H19N3O3/c1-15-12(17)9-3-2-6-16(8-9)13(18)11-5-4-10(7-14)19-11/h4-5,9H,2-3,6-8,14H2,1H3,(H,15,17)
InChIKeyZEUQQSTUFUFSQT-UHFFFAOYSA-N
XLogP0.34
TPSA88.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-amino-5-bromobenzoyl)-N-methylpiperidine-3-carboxamide
CID 103197103
1-[5-(methylsulfanylmethyl)furan-2-carbonyl]piperidine-3-carboxylic acid
CID 43355781
4-[(3S)-3-(methylcarbamoyl)piperidine-1-carbonyl]benzoic acid
CID 124674802
[(3R)-3-aminopiperidin-1-yl]-(5-ethylfuran-2-yl)methanone
CID 102978338
N-methyl-1-(pyridine-4-carbonyl)piperidine-3-carboxamide
CID 110258723
1-(4-hydroxybenzoyl)-N-methylpiperidine-3-carboxamide
CID 103875344
ethyl (3S)-1-[5-(methylsulfanylmethyl)furan-2-carbonyl]piperidine-3-carboxylate
CID 81338389
1-(2-amino-3-chlorobenzoyl)-N-methylpiperidine-3-carboxamide
CID 103194097
1-(4-fluorobenzoyl)-N-methylpiperidine-3-carboxamide
CID 47128312
[5-(methoxymethyl)furan-2-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119488456
1-(3,4-dihydroxybenzoyl)-N-methylpiperidine-3-carboxamide
CID 103956056
1-(2-amino-6-methoxybenzoyl)-N-methylpiperidine-3-carboxamide
CID 103194108

Frequently Asked Questions

What is the IUPAC name of 1-[5-(aminomethyl)furan-2-carbonyl]-N-methylpiperidine-3-carboxamide?
The IUPAC name of 1-[5-(aminomethyl)furan-2-carbonyl]-N-methylpiperidine-3-carboxamide (CID 103811056) is 1-[5-(aminomethyl)furan-2-carbonyl]-N-methylpiperidine-3-carboxamide.
What is the SMILES notation for 1-[5-(aminomethyl)furan-2-carbonyl]-N-methylpiperidine-3-carboxamide?
The canonical SMILES for 1-[5-(aminomethyl)furan-2-carbonyl]-N-methylpiperidine-3-carboxamide is CNC(=O)C1CCCN(C(=O)c2ccc(CN)o2)C1.
What is the InChIKey of 1-[5-(aminomethyl)furan-2-carbonyl]-N-methylpiperidine-3-carboxamide?
The InChIKey is ZEUQQSTUFUFSQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-15-12(17)9-3-2-6-16(8-9)13(18)11-5-4-10(7-14)19-11/h4-5,9H,2-3,6-8,14H2,1H3,(H,15,17).
What are the key properties of 1-[5-(aminomethyl)furan-2-carbonyl]-N-methylpiperidine-3-carboxamide?
1-[5-(aminomethyl)furan-2-carbonyl]-N-methylpiperidine-3-carboxamide has a molecular weight of 265.31 g/mol, XLogP of 0.34, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(aminomethyl)furan-2-carbonyl]-N-methylpiperidine-3-carboxamide is sourced from PubChem (CID 103811056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).