1-(4-chlorophenyl)-N-methoxy-3-(3-pyridin-2-ylpiperidin-1-yl)prop-1-en-1-amine

C20H24ClN3O — CID 91385951

IUPAC1-(4-chlorophenyl)-N-methoxy-3-(3-pyridin-2-ylpiperidin-1-yl)prop-1-en-1-amine
SMILESCONC(=CCN1CCCC(c2ccccn2)C1)c1ccc(Cl)cc1
InChIInChI=1S/C20H24ClN3O/c1-25-23-20(16-7-9-18(21)10-8-16)11-14-24-13-4-5-17(15-24)19-6-2-3-12-22-19/h2-3,6-12,17,23H,4-5,13-15H2,1H3
InChIKeyPCWKZKIZODNLCA-UHFFFAOYSA-N
MW357.89 g/mol
LogP4.11
Rot. Bonds6

About 1-(4-chlorophenyl)-N-methoxy-3-(3-pyridin-2-ylpiperidin-1-yl)prop-1-en-1-amine

1-(4-chlorophenyl)-N-methoxy-3-(3-pyridin-2-ylpiperidin-1-yl)prop-1-en-1-amine (PubChem CID 91385951) has the molecular formula C20H24ClN3O and a molecular weight of 357.89 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-methoxy-3-(3-pyridin-2-ylpiperidin-1-yl)prop-1-en-1-amine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-methoxy-3-(3-pyridin-2-ylpiperidin-1-yl)prop-1-en-1-amine
PubChem CID91385951
Molecular FormulaC20H24ClN3O
Molecular Weight357.89 g/mol
Exact Mass357.16
IUPAC Name1-(4-chlorophenyl)-N-methoxy-3-(3-pyridin-2-ylpiperidin-1-yl)prop-1-en-1-amine
SMILESCONC(=CCN1CCCC(c2ccccn2)C1)c1ccc(Cl)cc1
InChIInChI=1S/C20H24ClN3O/c1-25-23-20(16-7-9-18(21)10-8-16)11-14-24-13-4-5-17(15-24)19-6-2-3-12-22-19/h2-3,6-12,17,23H,4-5,13-15H2,1H3
InChIKeyPCWKZKIZODNLCA-UHFFFAOYSA-N
XLogP4.11
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.89
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(4-chlorophenyl)-N-methoxy-3-(3-pyridin-2-ylpiperidin-1-yl)propan-1-imine
CID 73081244
ethane;methyl 3-pyridin-2-ylpyrrolidine-1-carboxylate
CID 123830280
(4-methylphenyl)-(3-pyridin-2-ylpiperidin-1-yl)methanone
CID 121451790
N-[[2-(methoxymethyl)phenyl]methyl]-6-[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]pyridine-3-carboxamide
CID 92622012
2,2-dimethyl-1-(3-pyridin-2-ylpiperidin-1-yl)propan-1-one
CID 110256044
(4-chlorophenyl)-[3-[2-(pyridin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]methanone
CID 110267189
1-[(3R)-3-[5-(4-chlorophenyl)-2-pyridinyl]piperidin-1-yl]ethanone
CID 95825184
2-[3-[1-(4-chlorophenyl)pent-1-enoxy]-4-methylcyclohex-3-en-1-yl]pyridine
CID 91555402
3-[(3R)-1-[(2-chlorophenyl)methyl]piperidin-3-yl]-1-methylpyrazolo[3,4-b]pyridine
CID 92566401
methyl 1-[(2-chloro-3-pyridinyl)methyl]piperidine-3-carboxylate
CID 25229111
5-[(4-chlorophenyl)methyl]-2-[(3R)-1-(2-phenylethyl)piperidin-3-yl]pyridine
CID 125027075
2-[(3S)-3-[6-(4-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-N-pyridin-2-ylacetamide
CID 95809886

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-methoxy-3-(3-pyridin-2-ylpiperidin-1-yl)prop-1-en-1-amine?
The IUPAC name of 1-(4-chlorophenyl)-N-methoxy-3-(3-pyridin-2-ylpiperidin-1-yl)prop-1-en-1-amine (CID 91385951) is 1-(4-chlorophenyl)-N-methoxy-3-(3-pyridin-2-ylpiperidin-1-yl)prop-1-en-1-amine.
What is the SMILES notation for 1-(4-chlorophenyl)-N-methoxy-3-(3-pyridin-2-ylpiperidin-1-yl)prop-1-en-1-amine?
The canonical SMILES for 1-(4-chlorophenyl)-N-methoxy-3-(3-pyridin-2-ylpiperidin-1-yl)prop-1-en-1-amine is CONC(=CCN1CCCC(c2ccccn2)C1)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-N-methoxy-3-(3-pyridin-2-ylpiperidin-1-yl)prop-1-en-1-amine?
The InChIKey is PCWKZKIZODNLCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O/c1-25-23-20(16-7-9-18(21)10-8-16)11-14-24-13-4-5-17(15-24)19-6-2-3-12-22-19/h2-3,6-12,17,23H,4-5,13-15H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-N-methoxy-3-(3-pyridin-2-ylpiperidin-1-yl)prop-1-en-1-amine?
1-(4-chlorophenyl)-N-methoxy-3-(3-pyridin-2-ylpiperidin-1-yl)prop-1-en-1-amine has a molecular weight of 357.89 g/mol, XLogP of 4.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-methoxy-3-(3-pyridin-2-ylpiperidin-1-yl)prop-1-en-1-amine is sourced from PubChem (CID 91385951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).