(E)-N-cyclopropyl-3-phenyl-N-(piperidin-2-ylmethyl)prop-2-enamide

C18H24N2O — CID 106626913

IUPAC(E)-N-cyclopropyl-3-phenyl-N-(piperidin-2-ylmethyl)prop-2-enamide
SMILESO=C(/C=C/c1ccccc1)N(CC1CCCCN1)C1CC1
InChIInChI=1S/C18H24N2O/c21-18(12-9-15-6-2-1-3-7-15)20(17-10-11-17)14-16-8-4-5-13-19-16/h1-3,6-7,9,12,16-17,19H,4-5,8,10-11,13-14H2/b12-9+
InChIKeyDQGQJBHONJBVCJ-FMIVXFBMSA-N
MW284.40 g/mol
LogP2.83
Rot. Bonds5

About (E)-N-cyclopropyl-3-phenyl-N-(piperidin-2-ylmethyl)prop-2-enamide

(E)-N-cyclopropyl-3-phenyl-N-(piperidin-2-ylmethyl)prop-2-enamide (PubChem CID 106626913) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is (E)-N-cyclopropyl-3-phenyl-N-(piperidin-2-ylmethyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-cyclopropyl-3-phenyl-N-(piperidin-2-ylmethyl)prop-2-enamide
PubChem CID106626913
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name(E)-N-cyclopropyl-3-phenyl-N-(piperidin-2-ylmethyl)prop-2-enamide
SMILESO=C(/C=C/c1ccccc1)N(CC1CCCCN1)C1CC1
InChIInChI=1S/C18H24N2O/c21-18(12-9-15-6-2-1-3-7-15)20(17-10-11-17)14-16-8-4-5-13-19-16/h1-3,6-7,9,12,16-17,19H,4-5,8,10-11,13-14H2/b12-9+
InChIKeyDQGQJBHONJBVCJ-FMIVXFBMSA-N
XLogP2.83
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-ethyl-3-phenyl-N-(pyrrolidin-2-ylmethyl)prop-2-enamide
CID 106609156
(E)-3-phenyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)prop-2-enamide
CID 106609856
(E)-N-cyclopropyl-3-(furan-2-yl)-N-(pyrrolidin-2-ylmethyl)prop-2-enamide
CID 104974227
(E)-N-cyclopropyl-N-(pyrrolidin-2-ylmethyl)-3-thiophen-2-ylprop-2-enamide
CID 104974146
(E)-N-(2-methoxyethyl)-3-phenyl-N-(pyrrolidin-2-ylmethyl)prop-2-enamide
CID 106611607
(E)-3-(4-chlorophenyl)-N-methyl-N-(piperidin-2-ylmethyl)prop-2-enamide
CID 106627267
(E)-N-ethyl-3-(4-fluorophenyl)-N-(piperidin-2-ylmethyl)prop-2-enamide
CID 106626270
(E)-N-methyl-3-phenyl-N-(piperidin-2-ylmethyl)prop-2-en-1-amine
CID 106635606
(E)-N-(2-amino-2-oxoethyl)-3-phenyl-N-piperidin-4-ylprop-2-enamide
CID 60799814
1-cyclopropyl-3-(2-fluorophenyl)-1-(piperidin-2-ylmethyl)urea
CID 106629687
N-(2-cyanoethyl)-N-cyclopropyl-3-phenylprop-2-enamide
CID 76870677
(E)-N-(2-cyanoethyl)-N-cyclopropyl-3-phenylprop-2-enamide
CID 60587560

Frequently Asked Questions

What is the IUPAC name of (E)-N-cyclopropyl-3-phenyl-N-(piperidin-2-ylmethyl)prop-2-enamide?
The IUPAC name of (E)-N-cyclopropyl-3-phenyl-N-(piperidin-2-ylmethyl)prop-2-enamide (CID 106626913) is (E)-N-cyclopropyl-3-phenyl-N-(piperidin-2-ylmethyl)prop-2-enamide.
What is the SMILES notation for (E)-N-cyclopropyl-3-phenyl-N-(piperidin-2-ylmethyl)prop-2-enamide?
The canonical SMILES for (E)-N-cyclopropyl-3-phenyl-N-(piperidin-2-ylmethyl)prop-2-enamide is O=C(/C=C/c1ccccc1)N(CC1CCCCN1)C1CC1.
What is the InChIKey of (E)-N-cyclopropyl-3-phenyl-N-(piperidin-2-ylmethyl)prop-2-enamide?
The InChIKey is DQGQJBHONJBVCJ-FMIVXFBMSA-N. The full InChI is InChI=1S/C18H24N2O/c21-18(12-9-15-6-2-1-3-7-15)20(17-10-11-17)14-16-8-4-5-13-19-16/h1-3,6-7,9,12,16-17,19H,4-5,8,10-11,13-14H2/b12-9+.
What are the key properties of (E)-N-cyclopropyl-3-phenyl-N-(piperidin-2-ylmethyl)prop-2-enamide?
(E)-N-cyclopropyl-3-phenyl-N-(piperidin-2-ylmethyl)prop-2-enamide has a molecular weight of 284.40 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-cyclopropyl-3-phenyl-N-(piperidin-2-ylmethyl)prop-2-enamide is sourced from PubChem (CID 106626913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).