1-[2-[1-(furan-2-yl)propan-2-ylamino]acetyl]piperidine-4-carboxylic acid

C15H22N2O4 — CID 103242392

IUPAC1-[2-[1-(furan-2-yl)propan-2-ylamino]acetyl]piperidine-4-carboxylic acid
SMILESCC(Cc1ccco1)NCC(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C15H22N2O4/c1-11(9-13-3-2-8-21-13)16-10-14(18)17-6-4-12(5-7-17)15(19)20/h2-3,8,11-12,16H,4-7,9-10H2,1H3,(H,19,20)
InChIKeyUQORMZLPBPWQJK-UHFFFAOYSA-N
MW294.35 g/mol
LogP1.12
Rot. Bonds6

About 1-[2-[1-(furan-2-yl)propan-2-ylamino]acetyl]piperidine-4-carboxylic acid

1-[2-[1-(furan-2-yl)propan-2-ylamino]acetyl]piperidine-4-carboxylic acid (PubChem CID 103242392) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is 1-[2-[1-(furan-2-yl)propan-2-ylamino]acetyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-[1-(furan-2-yl)propan-2-ylamino]acetyl]piperidine-4-carboxylic acid
PubChem CID103242392
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name1-[2-[1-(furan-2-yl)propan-2-ylamino]acetyl]piperidine-4-carboxylic acid
SMILESCC(Cc1ccco1)NCC(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C15H22N2O4/c1-11(9-13-3-2-8-21-13)16-10-14(18)17-6-4-12(5-7-17)15(19)20/h2-3,8,11-12,16H,4-7,9-10H2,1H3,(H,19,20)
InChIKeyUQORMZLPBPWQJK-UHFFFAOYSA-N
XLogP1.12
TPSA82.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[2-[1-(furan-2-yl)propan-2-ylamino]acetyl]piperidine-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(furan-2-yl)propan-2-yl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
CID 55614736
N-carbamoyl-2-[1-(furan-2-yl)propan-2-ylamino]acetamide
CID 61043892
(3R)-1-[4-(furan-2-yl)butan-2-ylcarbamoyl]piperidine-3-carboxylic acid
CID 81128264
1-[2-[[(1S)-1-thiophen-2-ylethyl]amino]acetyl]piperidine-4-carboxylic acid
CID 103257817
1-[2-[[(1S)-1-pyridin-3-ylethyl]amino]acetyl]piperidine-4-carboxylic acid
CID 103258227
1-[2-(1-methylsulfinylpropan-2-ylamino)acetyl]piperidine-4-carboxylic acid
CID 103264123
1-[2-(4-methylpent-1-yn-3-ylamino)acetyl]piperidine-4-carboxylic acid
CID 114202670
N-[(2S)-1-(furan-2-yl)propan-2-yl]-1-sulfamoylpiperidine-4-carboxamide
CID 32598215
4-[1-(furan-2-yl)propan-2-ylamino]cyclohexane-1-carboxamide
CID 55181509
2-[[(1S)-1-(furan-2-yl)ethyl]amino]-1-pyrrolidin-1-ylethanone
CID 81400744
1-[1-(furan-2-yl)propan-2-ylcarbamoyl]cyclopropane-1-carboxylic acid
CID 62096088
1-[1-(furan-2-yl)propan-2-yl]azepane-2-carboxylic acid
CID 65069664

Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-(furan-2-yl)propan-2-ylamino]acetyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[2-[1-(furan-2-yl)propan-2-ylamino]acetyl]piperidine-4-carboxylic acid (CID 103242392) is 1-[2-[1-(furan-2-yl)propan-2-ylamino]acetyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-[1-(furan-2-yl)propan-2-ylamino]acetyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-[1-(furan-2-yl)propan-2-ylamino]acetyl]piperidine-4-carboxylic acid is CC(Cc1ccco1)NCC(=O)N1CCC(C(=O)O)CC1.
What is the InChIKey of 1-[2-[1-(furan-2-yl)propan-2-ylamino]acetyl]piperidine-4-carboxylic acid?
The InChIKey is UQORMZLPBPWQJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-11(9-13-3-2-8-21-13)16-10-14(18)17-6-4-12(5-7-17)15(19)20/h2-3,8,11-12,16H,4-7,9-10H2,1H3,(H,19,20).
What are the key properties of 1-[2-[1-(furan-2-yl)propan-2-ylamino]acetyl]piperidine-4-carboxylic acid?
1-[2-[1-(furan-2-yl)propan-2-ylamino]acetyl]piperidine-4-carboxylic acid has a molecular weight of 294.35 g/mol, XLogP of 1.12, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-(furan-2-yl)propan-2-ylamino]acetyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 103242392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).