(3R)-1-[4-(furan-2-yl)butan-2-ylcarbamoyl]piperidine-3-carboxylic acid

C15H22N2O4 — CID 81128264

IUPAC(3R)-1-[4-(furan-2-yl)butan-2-ylcarbamoyl]piperidine-3-carboxylic acid
SMILESCC(CCc1ccco1)NC(=O)N1CCC[C@@H](C(=O)O)C1
InChIInChI=1S/C15H22N2O4/c1-11(6-7-13-5-3-9-21-13)16-15(20)17-8-2-4-12(10-17)14(18)19/h3,5,9,11-12H,2,4,6-8,10H2,1H3,(H,16,20)(H,18,19)/t11?,12-/m1/s1
InChIKeyLSEQHQHZRHVOPU-PIJUOVFKSA-N
MW294.35 g/mol
LogP2.11
Rot. Bonds5

About (3R)-1-[4-(furan-2-yl)butan-2-ylcarbamoyl]piperidine-3-carboxylic acid

(3R)-1-[4-(furan-2-yl)butan-2-ylcarbamoyl]piperidine-3-carboxylic acid (PubChem CID 81128264) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is (3R)-1-[4-(furan-2-yl)butan-2-ylcarbamoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-[4-(furan-2-yl)butan-2-ylcarbamoyl]piperidine-3-carboxylic acid
PubChem CID81128264
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name(3R)-1-[4-(furan-2-yl)butan-2-ylcarbamoyl]piperidine-3-carboxylic acid
SMILESCC(CCc1ccco1)NC(=O)N1CCC[C@@H](C(=O)O)C1
InChIInChI=1S/C15H22N2O4/c1-11(6-7-13-5-3-9-21-13)16-15(20)17-8-2-4-12(10-17)14(18)19/h3,5,9,11-12H,2,4,6-8,10H2,1H3,(H,16,20)(H,18,19)/t11?,12-/m1/s1
InChIKeyLSEQHQHZRHVOPU-PIJUOVFKSA-N
XLogP2.11
TPSA82.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[1-(furan-2-yl)-4-methoxybutan-2-yl]carbamoyl]piperidine-3-carboxylic acid
CID 122009637
3-acetamido-N-[1-(furan-2-yl)propan-2-yl]piperidine-1-carboxamide
CID 71893038
(3R)-3-acetamido-N-[(2S)-1-(furan-2-yl)propan-2-yl]piperidine-1-carboxamide
CID 97087871
(3S)-1-(1-cyclopropylpropan-2-ylcarbamoyl)piperidine-3-carboxylic acid
CID 81125514
(3S)-1-(1-methylsulfanylpropan-2-ylcarbamoyl)piperidine-3-carboxylic acid
CID 104863169
(3S)-1-[2-(furan-2-carbonylamino)propanoyl]piperidine-3-carboxylic acid
CID 81120339
1-[4-[4-(furan-2-yl)butan-2-ylamino]piperidin-1-yl]ethanone
CID 43224097
(3S)-1-(pent-4-en-2-ylcarbamoyl)piperidine-3-carboxylic acid
CID 104861496
2-[1-[1-(furan-2-yl)propan-2-ylcarbamoyl]azetidin-3-yl]propanoic acid
CID 116683044
(3S)-N-[4-(furan-2-yl)butan-2-yl]piperidine-3-carboxamide
CID 81141055
N-[(2S)-4-(furan-2-yl)butan-2-yl]-4-(4-nitrophenyl)piperazine-1-carboxamide
CID 41355631
1-[[furan-2-yl-(4-methoxyphenyl)methyl]carbamoyl]piperidine-3-carboxylic acid
CID 122017027

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[4-(furan-2-yl)butan-2-ylcarbamoyl]piperidine-3-carboxylic acid?
The IUPAC name of (3R)-1-[4-(furan-2-yl)butan-2-ylcarbamoyl]piperidine-3-carboxylic acid (CID 81128264) is (3R)-1-[4-(furan-2-yl)butan-2-ylcarbamoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-[4-(furan-2-yl)butan-2-ylcarbamoyl]piperidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-[4-(furan-2-yl)butan-2-ylcarbamoyl]piperidine-3-carboxylic acid is CC(CCc1ccco1)NC(=O)N1CCC[C@@H](C(=O)O)C1.
What is the InChIKey of (3R)-1-[4-(furan-2-yl)butan-2-ylcarbamoyl]piperidine-3-carboxylic acid?
The InChIKey is LSEQHQHZRHVOPU-PIJUOVFKSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-11(6-7-13-5-3-9-21-13)16-15(20)17-8-2-4-12(10-17)14(18)19/h3,5,9,11-12H,2,4,6-8,10H2,1H3,(H,16,20)(H,18,19)/t11?,12-/m1/s1.
What are the key properties of (3R)-1-[4-(furan-2-yl)butan-2-ylcarbamoyl]piperidine-3-carboxylic acid?
(3R)-1-[4-(furan-2-yl)butan-2-ylcarbamoyl]piperidine-3-carboxylic acid has a molecular weight of 294.35 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[4-(furan-2-yl)butan-2-ylcarbamoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 81128264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).