1-[(E)-3-(2-nitrophenyl)prop-2-enyl]piperidine-2-carboxylic acid

C15H18N2O4 — CID 122040340

IUPAC1-[(E)-3-(2-nitrophenyl)prop-2-enyl]piperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1C/C=C/c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C15H18N2O4/c18-15(19)14-9-3-4-10-16(14)11-5-7-12-6-1-2-8-13(12)17(20)21/h1-2,5-8,14H,3-4,9-11H2,(H,18,19)/b7-5+
InChIKeySIEQQSNHDUPWRB-FNORWQNLSA-N
MW290.32 g/mol
LogP2.55
Rot. Bonds5

About 1-[(E)-3-(2-nitrophenyl)prop-2-enyl]piperidine-2-carboxylic acid

1-[(E)-3-(2-nitrophenyl)prop-2-enyl]piperidine-2-carboxylic acid (PubChem CID 122040340) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is 1-[(E)-3-(2-nitrophenyl)prop-2-enyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[(E)-3-(2-nitrophenyl)prop-2-enyl]piperidine-2-carboxylic acid
PubChem CID122040340
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Name1-[(E)-3-(2-nitrophenyl)prop-2-enyl]piperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1C/C=C/c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C15H18N2O4/c18-15(19)14-9-3-4-10-16(14)11-5-7-12-6-1-2-8-13(12)17(20)21/h1-2,5-8,14H,3-4,9-11H2,(H,18,19)/b7-5+
InChIKeySIEQQSNHDUPWRB-FNORWQNLSA-N
XLogP2.55
TPSA83.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2R,3R)-2-methyl-1-[(E)-3-(2-nitrophenyl)prop-2-enyl]piperidine-3-carboxylic acid
CID 122124801
(2S)-2-ethyl-1-[(E)-3-(2-nitrophenyl)prop-2-enyl]piperidine
CID 757332
1-[(E)-3-phenylprop-2-enyl]pyrrolidine-2-carboxylic acid
CID 43442189
1-[3-(2-nitrophenyl)prop-2-enyl]piperidin-3-ol
CID 2845971
1-[(2-methyl-3-nitrophenyl)methyl]azepane-2-carboxylic acid
CID 64563174
(2R)-1-[(2-nitrophenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 163320874
(2S)-1-[(2-nitrophenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 119910425
1-[(E)-4-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)but-2-enyl]piperidine-2-carboxylic acid;hydrochloride
CID 70009181
1-[(Z)-4-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)but-2-enyl]piperidine-2-carboxylic acid;hydrochloride
CID 70010385
1-(2-nitrobenzoyl)piperidine-2-carboxylic acid
CID 16783189
1-[(E)-3-(4-fluorophenyl)prop-2-enyl]pyrrolidine-2-carboxylic acid
CID 122036670
N,N-dimethyl-4-[(E)-3-(2-nitrophenyl)prop-2-enyl]piperazine-1-carboxamide
CID 75514792

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-3-(2-nitrophenyl)prop-2-enyl]piperidine-2-carboxylic acid?
The IUPAC name of 1-[(E)-3-(2-nitrophenyl)prop-2-enyl]piperidine-2-carboxylic acid (CID 122040340) is 1-[(E)-3-(2-nitrophenyl)prop-2-enyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 1-[(E)-3-(2-nitrophenyl)prop-2-enyl]piperidine-2-carboxylic acid?
The canonical SMILES for 1-[(E)-3-(2-nitrophenyl)prop-2-enyl]piperidine-2-carboxylic acid is O=C(O)C1CCCCN1C/C=C/c1ccccc1[N+](=O)[O-].
What is the InChIKey of 1-[(E)-3-(2-nitrophenyl)prop-2-enyl]piperidine-2-carboxylic acid?
The InChIKey is SIEQQSNHDUPWRB-FNORWQNLSA-N. The full InChI is InChI=1S/C15H18N2O4/c18-15(19)14-9-3-4-10-16(14)11-5-7-12-6-1-2-8-13(12)17(20)21/h1-2,5-8,14H,3-4,9-11H2,(H,18,19)/b7-5+.
What are the key properties of 1-[(E)-3-(2-nitrophenyl)prop-2-enyl]piperidine-2-carboxylic acid?
1-[(E)-3-(2-nitrophenyl)prop-2-enyl]piperidine-2-carboxylic acid has a molecular weight of 290.32 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-3-(2-nitrophenyl)prop-2-enyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 122040340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).