(E)-3-(4-chlorophenyl)-N-[4-(3-methoxypiperidin-1-yl)phenyl]prop-2-enamide

C21H23ClN2O2 — CID 121141603

IUPAC(E)-3-(4-chlorophenyl)-N-[4-(3-methoxypiperidin-1-yl)phenyl]prop-2-enamide
SMILESCOC1CCCN(c2ccc(NC(=O)/C=C/c3ccc(Cl)cc3)cc2)C1
InChIInChI=1S/C21H23ClN2O2/c1-26-20-3-2-14-24(15-20)19-11-9-18(10-12-19)23-21(25)13-6-16-4-7-17(22)8-5-16/h4-13,20H,2-3,14-15H2,1H3,(H,23,25)/b13-6+
InChIKeyOBHLEDNINGUVQA-AWNIVKPZSA-N
MW370.88 g/mol
LogP4.61
Rot. Bonds5

About (E)-3-(4-chlorophenyl)-N-[4-(3-methoxypiperidin-1-yl)phenyl]prop-2-enamide

(E)-3-(4-chlorophenyl)-N-[4-(3-methoxypiperidin-1-yl)phenyl]prop-2-enamide (PubChem CID 121141603) has the molecular formula C21H23ClN2O2 and a molecular weight of 370.88 g/mol. Its IUPAC name is (E)-3-(4-chlorophenyl)-N-[4-(3-methoxypiperidin-1-yl)phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-chlorophenyl)-N-[4-(3-methoxypiperidin-1-yl)phenyl]prop-2-enamide
PubChem CID121141603
Molecular FormulaC21H23ClN2O2
Molecular Weight370.88 g/mol
Exact Mass370.14
IUPAC Name(E)-3-(4-chlorophenyl)-N-[4-(3-methoxypiperidin-1-yl)phenyl]prop-2-enamide
SMILESCOC1CCCN(c2ccc(NC(=O)/C=C/c3ccc(Cl)cc3)cc2)C1
InChIInChI=1S/C21H23ClN2O2/c1-26-20-3-2-14-24(15-20)19-11-9-18(10-12-19)23-21(25)13-6-16-4-7-17(22)8-5-16/h4-13,20H,2-3,14-15H2,1H3,(H,23,25)/b13-6+
InChIKeyOBHLEDNINGUVQA-AWNIVKPZSA-N
XLogP4.61
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.88
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-(4-chlorophenyl)-N-[4-(4-methylpiperidin-1-yl)phenyl]prop-2-enamide
CID 3699776
2-(4-chlorophenoxy)-N-[4-[(3R)-3-methoxypiperidin-1-yl]phenyl]acetamide
CID 97427785
3-(4-chlorophenyl)-N-(4-morpholin-4-ylphenyl)prop-2-enamide
CID 878244
1-(3,4-dichlorophenyl)-3-[4-(3-methoxypiperidin-1-yl)phenyl]urea
CID 121141708
2-methoxy-N-[4-(3-methoxypiperidin-1-yl)phenyl]acetamide
CID 121141493
2-(4-chlorophenoxy)-N-[4-(3-methoxypyrrolidin-1-yl)phenyl]-2-methylpropanamide
CID 90595323
2-(2,4-dichlorophenoxy)-N-[4-(3-methoxypiperidin-1-yl)phenyl]acetamide
CID 121141679
3-(4-propan-2-ylphenyl)-N-(4-pyrrolidin-1-ylphenyl)prop-2-enamide
CID 806937
(E)-3-(4-chlorophenyl)-N-[1-[4-(3-methylpiperidin-1-yl)phenyl]ethyl]prop-2-enamide
CID 132657685
N-(4-chlorophenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 773597
3-(4-chlorophenyl)-N-(4-methoxyphenyl)prop-2-enamide
CID 692413
4-bromo-N-[4-(3-methoxypiperidin-1-yl)phenyl]benzamide
CID 121141656

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-chlorophenyl)-N-[4-(3-methoxypiperidin-1-yl)phenyl]prop-2-enamide?
The IUPAC name of (E)-3-(4-chlorophenyl)-N-[4-(3-methoxypiperidin-1-yl)phenyl]prop-2-enamide (CID 121141603) is (E)-3-(4-chlorophenyl)-N-[4-(3-methoxypiperidin-1-yl)phenyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(4-chlorophenyl)-N-[4-(3-methoxypiperidin-1-yl)phenyl]prop-2-enamide?
The canonical SMILES for (E)-3-(4-chlorophenyl)-N-[4-(3-methoxypiperidin-1-yl)phenyl]prop-2-enamide is COC1CCCN(c2ccc(NC(=O)/C=C/c3ccc(Cl)cc3)cc2)C1.
What is the InChIKey of (E)-3-(4-chlorophenyl)-N-[4-(3-methoxypiperidin-1-yl)phenyl]prop-2-enamide?
The InChIKey is OBHLEDNINGUVQA-AWNIVKPZSA-N. The full InChI is InChI=1S/C21H23ClN2O2/c1-26-20-3-2-14-24(15-20)19-11-9-18(10-12-19)23-21(25)13-6-16-4-7-17(22)8-5-16/h4-13,20H,2-3,14-15H2,1H3,(H,23,25)/b13-6+.
What are the key properties of (E)-3-(4-chlorophenyl)-N-[4-(3-methoxypiperidin-1-yl)phenyl]prop-2-enamide?
(E)-3-(4-chlorophenyl)-N-[4-(3-methoxypiperidin-1-yl)phenyl]prop-2-enamide has a molecular weight of 370.88 g/mol, XLogP of 4.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-chlorophenyl)-N-[4-(3-methoxypiperidin-1-yl)phenyl]prop-2-enamide is sourced from PubChem (CID 121141603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).