1-[(furan-2-carbonylamino)methyl]piperidine-4-carboxylic acid

C12H16N2O4 — CID 82163363

IUPAC1-[(furan-2-carbonylamino)methyl]piperidine-4-carboxylic acid
SMILESO=C(NCN1CCC(C(=O)O)CC1)c1ccco1
InChIInChI=1S/C12H16N2O4/c15-11(10-2-1-7-18-10)13-8-14-5-3-9(4-6-14)12(16)17/h1-2,7,9H,3-6,8H2,(H,13,15)(H,16,17)
InChIKeyBLUIDCMAJVPHRX-UHFFFAOYSA-N
MW252.27 g/mol
LogP0.76
Rot. Bonds4

About 1-[(furan-2-carbonylamino)methyl]piperidine-4-carboxylic acid

1-[(furan-2-carbonylamino)methyl]piperidine-4-carboxylic acid (PubChem CID 82163363) has the molecular formula C12H16N2O4 and a molecular weight of 252.27 g/mol. Its IUPAC name is 1-[(furan-2-carbonylamino)methyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[(furan-2-carbonylamino)methyl]piperidine-4-carboxylic acid
PubChem CID82163363
Molecular FormulaC12H16N2O4
Molecular Weight252.27 g/mol
Exact Mass252.11
IUPAC Name1-[(furan-2-carbonylamino)methyl]piperidine-4-carboxylic acid
SMILESO=C(NCN1CCC(C(=O)O)CC1)c1ccco1
InChIInChI=1S/C12H16N2O4/c15-11(10-2-1-7-18-10)13-8-14-5-3-9(4-6-14)12(16)17/h1-2,7,9H,3-6,8H2,(H,13,15)(H,16,17)
InChIKeyBLUIDCMAJVPHRX-UHFFFAOYSA-N
XLogP0.76
TPSA82.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(furan-2-carbonylamino)acetyl]piperidine-3-carboxylic acid
CID 43171014
N-[2-(4-methylpiperidin-1-yl)ethyl]furan-2-carboxamide
CID 60769782
1-[[[2-(4-fluorophenyl)acetyl]amino]methyl]piperidine-4-carboxylic acid
CID 82163378
1-[1-(furan-2-carbonyl)piperidine-4-carbonyl]piperidine-4-carboxylic acid
CID 45341263
1-[[(3,4-dimethylbenzoyl)amino]methyl]piperidine-4-carboxylic acid
CID 82163375
N-[2-(4-aminopiperidin-1-yl)acetyl]furan-2-carboxamide
CID 43556804
1-[2-[furan-2-carbonyl(methyl)amino]acetyl]piperidine-4-carboxylic acid
CID 43354178
(3S)-1-(furan-2-carbonyl)pyrrolidine-3-carboxylic acid
CID 94917226
1-[4-[(furan-2-carbonylamino)methyl]phenyl]piperidine-3-carboxamide
CID 56797802
N-[2-[4-(morpholine-4-carbonyl)piperidin-1-yl]-2-oxoethyl]furan-2-carboxamide
CID 38491111
1-[[(3,4-dimethoxybenzoyl)amino]methyl]piperidine-4-carboxylic acid
CID 94778325
1-[2-oxo-2-(3-phenylpropylamino)ethyl]piperidine-4-carboxylic acid
CID 119908236

Frequently Asked Questions

What is the IUPAC name of 1-[(furan-2-carbonylamino)methyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[(furan-2-carbonylamino)methyl]piperidine-4-carboxylic acid (CID 82163363) is 1-[(furan-2-carbonylamino)methyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[(furan-2-carbonylamino)methyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[(furan-2-carbonylamino)methyl]piperidine-4-carboxylic acid is O=C(NCN1CCC(C(=O)O)CC1)c1ccco1.
What is the InChIKey of 1-[(furan-2-carbonylamino)methyl]piperidine-4-carboxylic acid?
The InChIKey is BLUIDCMAJVPHRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4/c15-11(10-2-1-7-18-10)13-8-14-5-3-9(4-6-14)12(16)17/h1-2,7,9H,3-6,8H2,(H,13,15)(H,16,17).
What are the key properties of 1-[(furan-2-carbonylamino)methyl]piperidine-4-carboxylic acid?
1-[(furan-2-carbonylamino)methyl]piperidine-4-carboxylic acid has a molecular weight of 252.27 g/mol, XLogP of 0.76, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(furan-2-carbonylamino)methyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 82163363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).