(E)-N-(2-amino-2-oxoethyl)-3-phenyl-N-piperidin-4-ylprop-2-enamide

C16H21N3O2 — CID 60799814

IUPAC(E)-N-(2-amino-2-oxoethyl)-3-phenyl-N-piperidin-4-ylprop-2-enamide
SMILESNC(=O)CN(C(=O)/C=C/c1ccccc1)C1CCNCC1
InChIInChI=1S/C16H21N3O2/c17-15(20)12-19(14-8-10-18-11-9-14)16(21)7-6-13-4-2-1-3-5-13/h1-7,14,18H,8-12H2,(H2,17,20)/b7-6+
InChIKeyXMZWGOOTSAKOKR-VOTSOKGWSA-N
MW287.36 g/mol
LogP0.77
Rot. Bonds5

About (E)-N-(2-amino-2-oxoethyl)-3-phenyl-N-piperidin-4-ylprop-2-enamide

(E)-N-(2-amino-2-oxoethyl)-3-phenyl-N-piperidin-4-ylprop-2-enamide (PubChem CID 60799814) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is (E)-N-(2-amino-2-oxoethyl)-3-phenyl-N-piperidin-4-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2-amino-2-oxoethyl)-3-phenyl-N-piperidin-4-ylprop-2-enamide
PubChem CID60799814
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name(E)-N-(2-amino-2-oxoethyl)-3-phenyl-N-piperidin-4-ylprop-2-enamide
SMILESNC(=O)CN(C(=O)/C=C/c1ccccc1)C1CCNCC1
InChIInChI=1S/C16H21N3O2/c17-15(20)12-19(14-8-10-18-11-9-14)16(21)7-6-13-4-2-1-3-5-13/h1-7,14,18H,8-12H2,(H2,17,20)/b7-6+
InChIKeyXMZWGOOTSAKOKR-VOTSOKGWSA-N
XLogP0.77
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-2-oxoethyl)-N-piperidin-4-ylbenzamide
CID 60802269
N-(2-amino-2-oxoethyl)-2,6-difluoro-N-piperidin-4-ylbenzamide
CID 60802278
(E)-N-cyclopropyl-3-phenyl-N-(piperidin-2-ylmethyl)prop-2-enamide
CID 106626913
N-(4-aminocyclohexyl)-3-phenyl-N-propylprop-2-enamide
CID 79116877
(E)-N-(2-cyanoethyl)-N-cyclopropyl-3-phenylprop-2-enamide
CID 60587560
N-(2-cyanoethyl)-N-cyclopropyl-3-phenylprop-2-enamide
CID 76870677
3-phenyl-N-piperidin-3-yl-N-propylprop-2-enamide
CID 77002821
N-[(1-benzylpyrrol-2-yl)methyl]-N-cyclopropyl-3-phenylprop-2-enamide
CID 4024183
1-(N-piperidin-4-ylanilino)propan-2-one
CID 15358
(E)-N-(2-amino-2-oxoethyl)-N-cyclopentyl-3-quinoxalin-2-ylprop-2-enamide
CID 56817914
benzyl(piperidin-4-yl)carbamic acid
CID 54298382
N-(2-amino-2-oxoethyl)-3-fluoro-N-piperidin-4-ylbenzamide
CID 60800351

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-amino-2-oxoethyl)-3-phenyl-N-piperidin-4-ylprop-2-enamide?
The IUPAC name of (E)-N-(2-amino-2-oxoethyl)-3-phenyl-N-piperidin-4-ylprop-2-enamide (CID 60799814) is (E)-N-(2-amino-2-oxoethyl)-3-phenyl-N-piperidin-4-ylprop-2-enamide.
What is the SMILES notation for (E)-N-(2-amino-2-oxoethyl)-3-phenyl-N-piperidin-4-ylprop-2-enamide?
The canonical SMILES for (E)-N-(2-amino-2-oxoethyl)-3-phenyl-N-piperidin-4-ylprop-2-enamide is NC(=O)CN(C(=O)/C=C/c1ccccc1)C1CCNCC1.
What is the InChIKey of (E)-N-(2-amino-2-oxoethyl)-3-phenyl-N-piperidin-4-ylprop-2-enamide?
The InChIKey is XMZWGOOTSAKOKR-VOTSOKGWSA-N. The full InChI is InChI=1S/C16H21N3O2/c17-15(20)12-19(14-8-10-18-11-9-14)16(21)7-6-13-4-2-1-3-5-13/h1-7,14,18H,8-12H2,(H2,17,20)/b7-6+.
What are the key properties of (E)-N-(2-amino-2-oxoethyl)-3-phenyl-N-piperidin-4-ylprop-2-enamide?
(E)-N-(2-amino-2-oxoethyl)-3-phenyl-N-piperidin-4-ylprop-2-enamide has a molecular weight of 287.36 g/mol, XLogP of 0.77, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-amino-2-oxoethyl)-3-phenyl-N-piperidin-4-ylprop-2-enamide is sourced from PubChem (CID 60799814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).