1-[2-[furan-2-carbonyl(methyl)amino]acetyl]piperidine-4-carboxylic acid

C14H18N2O5 — CID 43354178

IUPAC1-[2-[furan-2-carbonyl(methyl)amino]acetyl]piperidine-4-carboxylic acid
SMILESCN(CC(=O)N1CCC(C(=O)O)CC1)C(=O)c1ccco1
InChIInChI=1S/C14H18N2O5/c1-15(13(18)11-3-2-8-21-11)9-12(17)16-6-4-10(5-7-16)14(19)20/h2-3,8,10H,4-7,9H2,1H3,(H,19,20)
InChIKeyAVTMSPJCVZSPGE-UHFFFAOYSA-N
MW294.31 g/mol
LogP0.67
Rot. Bonds4

About 1-[2-[furan-2-carbonyl(methyl)amino]acetyl]piperidine-4-carboxylic acid

1-[2-[furan-2-carbonyl(methyl)amino]acetyl]piperidine-4-carboxylic acid (PubChem CID 43354178) has the molecular formula C14H18N2O5 and a molecular weight of 294.31 g/mol. Its IUPAC name is 1-[2-[furan-2-carbonyl(methyl)amino]acetyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-[furan-2-carbonyl(methyl)amino]acetyl]piperidine-4-carboxylic acid
PubChem CID43354178
Molecular FormulaC14H18N2O5
Molecular Weight294.31 g/mol
Exact Mass294.12
IUPAC Name1-[2-[furan-2-carbonyl(methyl)amino]acetyl]piperidine-4-carboxylic acid
SMILESCN(CC(=O)N1CCC(C(=O)O)CC1)C(=O)c1ccco1
InChIInChI=1S/C14H18N2O5/c1-15(13(18)11-3-2-8-21-11)9-12(17)16-6-4-10(5-7-16)14(19)20/h2-3,8,10H,4-7,9H2,1H3,(H,19,20)
InChIKeyAVTMSPJCVZSPGE-UHFFFAOYSA-N
XLogP0.67
TPSA91.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(azepan-1-yl)-2-oxoethyl]-N-methylfuran-2-carboxamide
CID 60715665
1-[2-[(3-bromofuran-2-carbonyl)-methylamino]acetyl]piperidine-4-carboxylic acid
CID 120525575
2-[1-[2-[furan-2-carbonyl(methyl)amino]acetyl]azetidin-3-yl]acetic acid
CID 64603352
1-[2-[methyl(phenylmethoxycarbonyl)amino]acetyl]piperidine-4-carboxylic acid
CID 156620036
1-[2-[furan-2-carbonyl(methyl)amino]acetyl]-3-methylpyrrolidine-3-carboxylic acid
CID 63146805
1-[2-[methyl-(5-methyl-1-benzofuran-2-carbonyl)amino]acetyl]piperidine-4-carboxylic acid
CID 119236286
1-[2-[methyl-(2-phenyl-1,3-oxazole-4-carbonyl)amino]acetyl]piperidine-4-carboxylic acid
CID 119235918
1-[2-[methyl-(4-methylsulfanylbenzoyl)amino]acetyl]piperidine-4-carboxylic acid
CID 119236330
1-[2-[3,4-dihydro-2H-chromene-4-carbonyl(methyl)amino]acetyl]piperidine-4-carboxylic acid
CID 119236272
1-[2-[(2-anilinobenzoyl)-methylamino]acetyl]piperidine-4-carboxylic acid
CID 119236397
1-[2-[methyl-(3-pentan-3-yl-1,2-oxazole-5-carbonyl)amino]acetyl]piperidine-4-carboxylic acid
CID 119236501
1-[2-[methyl-(2-phenyl-1,3-thiazole-4-carbonyl)amino]acetyl]piperidine-4-carboxylic acid
CID 119235762

Frequently Asked Questions

What is the IUPAC name of 1-[2-[furan-2-carbonyl(methyl)amino]acetyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[2-[furan-2-carbonyl(methyl)amino]acetyl]piperidine-4-carboxylic acid (CID 43354178) is 1-[2-[furan-2-carbonyl(methyl)amino]acetyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-[furan-2-carbonyl(methyl)amino]acetyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-[furan-2-carbonyl(methyl)amino]acetyl]piperidine-4-carboxylic acid is CN(CC(=O)N1CCC(C(=O)O)CC1)C(=O)c1ccco1.
What is the InChIKey of 1-[2-[furan-2-carbonyl(methyl)amino]acetyl]piperidine-4-carboxylic acid?
The InChIKey is AVTMSPJCVZSPGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O5/c1-15(13(18)11-3-2-8-21-11)9-12(17)16-6-4-10(5-7-16)14(19)20/h2-3,8,10H,4-7,9H2,1H3,(H,19,20).
What are the key properties of 1-[2-[furan-2-carbonyl(methyl)amino]acetyl]piperidine-4-carboxylic acid?
1-[2-[furan-2-carbonyl(methyl)amino]acetyl]piperidine-4-carboxylic acid has a molecular weight of 294.31 g/mol, XLogP of 0.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[furan-2-carbonyl(methyl)amino]acetyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 43354178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).