4-[[[(E)-3-phenylprop-2-enoyl]amino]methyl]piperidine-1-carboxylic acid

C16H20N2O3 — CID 174690173

IUPAC4-[[[(E)-3-phenylprop-2-enoyl]amino]methyl]piperidine-1-carboxylic acid
SMILESO=C(/C=C/c1ccccc1)NCC1CCN(C(=O)O)CC1
InChIInChI=1S/C16H20N2O3/c19-15(7-6-13-4-2-1-3-5-13)17-12-14-8-10-18(11-9-14)16(20)21/h1-7,14H,8-12H2,(H,17,19)(H,20,21)/b7-6+
InChIKeyLFPQRWLPGQSZLZ-VOTSOKGWSA-N
MW288.35 g/mol
LogP2.21
Rot. Bonds4

About 4-[[[(E)-3-phenylprop-2-enoyl]amino]methyl]piperidine-1-carboxylic acid

4-[[[(E)-3-phenylprop-2-enoyl]amino]methyl]piperidine-1-carboxylic acid (PubChem CID 174690173) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 4-[[[(E)-3-phenylprop-2-enoyl]amino]methyl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[[[(E)-3-phenylprop-2-enoyl]amino]methyl]piperidine-1-carboxylic acid
PubChem CID174690173
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name4-[[[(E)-3-phenylprop-2-enoyl]amino]methyl]piperidine-1-carboxylic acid
SMILESO=C(/C=C/c1ccccc1)NCC1CCN(C(=O)O)CC1
InChIInChI=1S/C16H20N2O3/c19-15(7-6-13-4-2-1-3-5-13)17-12-14-8-10-18(11-9-14)16(20)21/h1-7,14H,8-12H2,(H,17,19)(H,20,21)/b7-6+
InChIKeyLFPQRWLPGQSZLZ-VOTSOKGWSA-N
XLogP2.21
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-phenyl-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]prop-2-enamide
CID 71960811
(E)-3-(4-methylsulfanylphenyl)-N-[[1-(2-phenoxyacetyl)piperidin-4-yl]methyl]prop-2-enamide
CID 71806794
N-[[1-(3-phenylprop-2-enoyl)piperidin-4-yl]methyl]-3-(1,2,4-triazol-4-yl)propanamide
CID 171139296
N-(oxiran-2-ylmethyl)-3-phenylprop-2-enamide
CID 131846680
(E)-3-(4-bromophenyl)-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]prop-2-enamide
CID 108924833
tert-butyl 3-(3-phenylprop-2-enoylcarbamoyl)pyrrolidine-1-carboxylate
CID 169094506
(Z)-3-phenyl-N-[2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl]prop-2-enamide
CID 51351606
tert-butyl N-[2-[4-[[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]methyl]piperidin-1-yl]-2-oxoethyl]carbamate
CID 108916658
(Z)-3-(1,3-benzodioxol-5-yl)-N-[[1-[(Z)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]piperidin-4-yl]methyl]prop-2-enamide
CID 2171808
1-[3-(hydroxymethyl)pyrrolidin-1-yl]-3-phenylprop-2-en-1-one
CID 78989359
(E)-N-[[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]methyl]-3-(4-methylphenyl)prop-2-enamide
CID 108935511
N-[2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl]cyclopropanecarboxamide
CID 32968682

Frequently Asked Questions

What is the IUPAC name of 4-[[[(E)-3-phenylprop-2-enoyl]amino]methyl]piperidine-1-carboxylic acid?
The IUPAC name of 4-[[[(E)-3-phenylprop-2-enoyl]amino]methyl]piperidine-1-carboxylic acid (CID 174690173) is 4-[[[(E)-3-phenylprop-2-enoyl]amino]methyl]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[[[(E)-3-phenylprop-2-enoyl]amino]methyl]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[[[(E)-3-phenylprop-2-enoyl]amino]methyl]piperidine-1-carboxylic acid is O=C(/C=C/c1ccccc1)NCC1CCN(C(=O)O)CC1.
What is the InChIKey of 4-[[[(E)-3-phenylprop-2-enoyl]amino]methyl]piperidine-1-carboxylic acid?
The InChIKey is LFPQRWLPGQSZLZ-VOTSOKGWSA-N. The full InChI is InChI=1S/C16H20N2O3/c19-15(7-6-13-4-2-1-3-5-13)17-12-14-8-10-18(11-9-14)16(20)21/h1-7,14H,8-12H2,(H,17,19)(H,20,21)/b7-6+.
What are the key properties of 4-[[[(E)-3-phenylprop-2-enoyl]amino]methyl]piperidine-1-carboxylic acid?
4-[[[(E)-3-phenylprop-2-enoyl]amino]methyl]piperidine-1-carboxylic acid has a molecular weight of 288.35 g/mol, XLogP of 2.21, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[(E)-3-phenylprop-2-enoyl]amino]methyl]piperidine-1-carboxylic acid is sourced from PubChem (CID 174690173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).