(E)-3-(4-aminophenyl)-N-piperidin-1-ylprop-2-enamide

C14H19N3O — CID 83021636

IUPAC(E)-3-(4-aminophenyl)-N-piperidin-1-ylprop-2-enamide
SMILESNc1ccc(/C=C/C(=O)NN2CCCCC2)cc1
InChIInChI=1S/C14H19N3O/c15-13-7-4-12(5-8-13)6-9-14(18)16-17-10-2-1-3-11-17/h4-9H,1-3,10-11,15H2,(H,16,18)/b9-6+
InChIKeyKSIJXHWFYNLHAX-RMKNXTFCSA-N
MW245.33 g/mol
LogP1.80
Rot. Bonds3

About (E)-3-(4-aminophenyl)-N-piperidin-1-ylprop-2-enamide

(E)-3-(4-aminophenyl)-N-piperidin-1-ylprop-2-enamide (PubChem CID 83021636) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is (E)-3-(4-aminophenyl)-N-piperidin-1-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-aminophenyl)-N-piperidin-1-ylprop-2-enamide
PubChem CID83021636
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name(E)-3-(4-aminophenyl)-N-piperidin-1-ylprop-2-enamide
SMILESNc1ccc(/C=C/C(=O)NN2CCCCC2)cc1
InChIInChI=1S/C14H19N3O/c15-13-7-4-12(5-8-13)6-9-14(18)16-17-10-2-1-3-11-17/h4-9H,1-3,10-11,15H2,(H,16,18)/b9-6+
InChIKeyKSIJXHWFYNLHAX-RMKNXTFCSA-N
XLogP1.80
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(4-aminophenyl)prop-2-enehydrazide
CID 79006134
(E)-3-[4-chloro-3-(trifluoromethyl)phenyl]-N-piperidin-1-ylprop-2-enamide
CID 9271811
(E)-3-(4-bromophenyl)-N-morpholin-4-ylprop-2-enamide
CID 903165
(E)-3-(furan-2-yl)-N-piperidin-1-ylprop-2-enamide
CID 9271007
(E)-3-(4-aminophenyl)-N-[(1S)-1-cyclohexylethyl]prop-2-enamide
CID 115344773
(E)-3-(4-aminophenyl)-N-(1-methylpyrrolidin-3-yl)prop-2-enamide
CID 115343735
(E)-3-(4-ethylphenyl)-N-(4-methylpiperazin-1-yl)prop-2-enamide
CID 9205820
(E)-3-(4-methoxyphenyl)-N-morpholin-4-ylprop-2-enamide
CID 6271180
3-(4-methoxyphenyl)-N-morpholin-4-ylprop-2-enamide
CID 5104066
1-[[(E)-3-(4-aminophenyl)prop-2-enoyl]amino]cyclopentane-1-carboxylic acid
CID 115343519
(E)-N-(4-methylpiperazin-4-ium-1-yl)-3-phenylprop-2-enamide
CID 7769657
(Z)-4-oxo-4-(piperidin-1-ylamino)but-2-enoic acid
CID 131241899

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-aminophenyl)-N-piperidin-1-ylprop-2-enamide?
The IUPAC name of (E)-3-(4-aminophenyl)-N-piperidin-1-ylprop-2-enamide (CID 83021636) is (E)-3-(4-aminophenyl)-N-piperidin-1-ylprop-2-enamide.
What is the SMILES notation for (E)-3-(4-aminophenyl)-N-piperidin-1-ylprop-2-enamide?
The canonical SMILES for (E)-3-(4-aminophenyl)-N-piperidin-1-ylprop-2-enamide is Nc1ccc(/C=C/C(=O)NN2CCCCC2)cc1.
What is the InChIKey of (E)-3-(4-aminophenyl)-N-piperidin-1-ylprop-2-enamide?
The InChIKey is KSIJXHWFYNLHAX-RMKNXTFCSA-N. The full InChI is InChI=1S/C14H19N3O/c15-13-7-4-12(5-8-13)6-9-14(18)16-17-10-2-1-3-11-17/h4-9H,1-3,10-11,15H2,(H,16,18)/b9-6+.
What are the key properties of (E)-3-(4-aminophenyl)-N-piperidin-1-ylprop-2-enamide?
(E)-3-(4-aminophenyl)-N-piperidin-1-ylprop-2-enamide has a molecular weight of 245.33 g/mol, XLogP of 1.80, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-aminophenyl)-N-piperidin-1-ylprop-2-enamide is sourced from PubChem (CID 83021636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).