(Z)-3-(3-chloro-4-piperidin-1-ylphenyl)prop-2-enamide

C14H17ClN2O — CID 170877762

IUPAC(Z)-3-(3-chloro-4-piperidin-1-ylphenyl)prop-2-enamide
SMILESNC(=O)/C=C\c1ccc(N2CCCCC2)c(Cl)c1
InChIInChI=1S/C14H17ClN2O/c15-12-10-11(5-7-14(16)18)4-6-13(12)17-8-2-1-3-9-17/h4-7,10H,1-3,8-9H2,(H2,16,18)/b7-5-
InChIKeyIORQXTGRXJHMAS-ALCCZGGFSA-N
MW264.76 g/mol
LogP2.83
Rot. Bonds3

About (Z)-3-(3-chloro-4-piperidin-1-ylphenyl)prop-2-enamide

(Z)-3-(3-chloro-4-piperidin-1-ylphenyl)prop-2-enamide (PubChem CID 170877762) has the molecular formula C14H17ClN2O and a molecular weight of 264.76 g/mol. Its IUPAC name is (Z)-3-(3-chloro-4-piperidin-1-ylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-3-(3-chloro-4-piperidin-1-ylphenyl)prop-2-enamide
PubChem CID170877762
Molecular FormulaC14H17ClN2O
Molecular Weight264.76 g/mol
Exact Mass264.10
IUPAC Name(Z)-3-(3-chloro-4-piperidin-1-ylphenyl)prop-2-enamide
SMILESNC(=O)/C=C\c1ccc(N2CCCCC2)c(Cl)c1
InChIInChI=1S/C14H17ClN2O/c15-12-10-11(5-7-14(16)18)4-6-13(12)17-8-2-1-3-9-17/h4-7,10H,1-3,8-9H2,(H2,16,18)/b7-5-
InChIKeyIORQXTGRXJHMAS-ALCCZGGFSA-N
XLogP2.83
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.76
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-(3-chloro-4-piperidin-1-ylphenyl)prop-2-enamide?
The IUPAC name of (Z)-3-(3-chloro-4-piperidin-1-ylphenyl)prop-2-enamide (CID 170877762) is (Z)-3-(3-chloro-4-piperidin-1-ylphenyl)prop-2-enamide.
What is the SMILES notation for (Z)-3-(3-chloro-4-piperidin-1-ylphenyl)prop-2-enamide?
The canonical SMILES for (Z)-3-(3-chloro-4-piperidin-1-ylphenyl)prop-2-enamide is NC(=O)/C=C\c1ccc(N2CCCCC2)c(Cl)c1.
What is the InChIKey of (Z)-3-(3-chloro-4-piperidin-1-ylphenyl)prop-2-enamide?
The InChIKey is IORQXTGRXJHMAS-ALCCZGGFSA-N. The full InChI is InChI=1S/C14H17ClN2O/c15-12-10-11(5-7-14(16)18)4-6-13(12)17-8-2-1-3-9-17/h4-7,10H,1-3,8-9H2,(H2,16,18)/b7-5-.
What are the key properties of (Z)-3-(3-chloro-4-piperidin-1-ylphenyl)prop-2-enamide?
(Z)-3-(3-chloro-4-piperidin-1-ylphenyl)prop-2-enamide has a molecular weight of 264.76 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(3-chloro-4-piperidin-1-ylphenyl)prop-2-enamide is sourced from PubChem (CID 170877762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).