N-[2-(4-aminopiperidin-1-yl)acetyl]furan-2-carboxamide

C12H17N3O3 — CID 43556804

IUPACN-[2-(4-aminopiperidin-1-yl)acetyl]furan-2-carboxamide
SMILESNC1CCN(CC(=O)NC(=O)c2ccco2)CC1
InChIInChI=1S/C12H17N3O3/c13-9-3-5-15(6-4-9)8-11(16)14-12(17)10-2-1-7-18-10/h1-2,7,9H,3-6,8,13H2,(H,14,16,17)
InChIKeyCZQXANPTUFMWHD-UHFFFAOYSA-N
MW251.29 g/mol
LogP-0.04
Rot. Bonds3

About N-[2-(4-aminopiperidin-1-yl)acetyl]furan-2-carboxamide

N-[2-(4-aminopiperidin-1-yl)acetyl]furan-2-carboxamide (PubChem CID 43556804) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is N-[2-(4-aminopiperidin-1-yl)acetyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-aminopiperidin-1-yl)acetyl]furan-2-carboxamide
PubChem CID43556804
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC NameN-[2-(4-aminopiperidin-1-yl)acetyl]furan-2-carboxamide
SMILESNC1CCN(CC(=O)NC(=O)c2ccco2)CC1
InChIInChI=1S/C12H17N3O3/c13-9-3-5-15(6-4-9)8-11(16)14-12(17)10-2-1-7-18-10/h1-2,7,9H,3-6,8,13H2,(H,14,16,17)
InChIKeyCZQXANPTUFMWHD-UHFFFAOYSA-N
XLogP-0.04
TPSA88.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-aminopiperidin-1-yl)-1-(furan-2-yl)ethanone
CID 62031487
N-(2-piperazin-1-ylacetyl)furan-2-carboxamide
CID 43162394
N-[2-(3,5-dimethylpiperazin-1-yl)acetyl]furan-2-carboxamide
CID 63872942
methyl (3S)-1-[2-(furan-2-carbonylamino)-2-oxoethyl]piperidine-3-carboxylate
CID 115537539
2-(4-aminopiperidin-1-yl)-N-[1-(furan-2-yl)ethyl]acetamide
CID 43556867
N-[2-(3-piperazin-1-ylazetidin-1-yl)acetyl]furan-2-carboxamide
CID 66196197
2-[4-(aminomethyl)piperidin-1-yl]-1-(furan-2-yl)ethanone;hydrochloride
CID 71644820
N-[2-[2-(hydroxymethyl)azepan-1-yl]acetyl]furan-2-carboxamide
CID 116637783
N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]furan-2-carboxamide
CID 858393
N-[1-(2-amino-2-hydroxyiminoethyl)piperidin-4-yl]furan-2-carboxamide
CID 77002384
2-[1-[2-(furan-2-yl)-2-oxoethyl]piperidin-4-yl]acetamide
CID 54989522
1-[(furan-2-carbonylamino)methyl]piperidine-4-carboxylic acid
CID 82163363

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-aminopiperidin-1-yl)acetyl]furan-2-carboxamide?
The IUPAC name of N-[2-(4-aminopiperidin-1-yl)acetyl]furan-2-carboxamide (CID 43556804) is N-[2-(4-aminopiperidin-1-yl)acetyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-(4-aminopiperidin-1-yl)acetyl]furan-2-carboxamide?
The canonical SMILES for N-[2-(4-aminopiperidin-1-yl)acetyl]furan-2-carboxamide is NC1CCN(CC(=O)NC(=O)c2ccco2)CC1.
What is the InChIKey of N-[2-(4-aminopiperidin-1-yl)acetyl]furan-2-carboxamide?
The InChIKey is CZQXANPTUFMWHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c13-9-3-5-15(6-4-9)8-11(16)14-12(17)10-2-1-7-18-10/h1-2,7,9H,3-6,8,13H2,(H,14,16,17).
What are the key properties of N-[2-(4-aminopiperidin-1-yl)acetyl]furan-2-carboxamide?
N-[2-(4-aminopiperidin-1-yl)acetyl]furan-2-carboxamide has a molecular weight of 251.29 g/mol, XLogP of -0.04, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-aminopiperidin-1-yl)acetyl]furan-2-carboxamide is sourced from PubChem (CID 43556804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).